NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
387296 |
1m94   |
5481 | cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1m94
save_distance_constraint_statistics_1
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 1
_Distance_constraint_stats_list.Constraint_count 8
_Distance_constraint_stats_list.Viol_count 14
_Distance_constraint_stats_list.Viol_total 6.196
_Distance_constraint_stats_list.Viol_max 0.037
_Distance_constraint_stats_list.Viol_rms 0.0069
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0019
_Distance_constraint_stats_list.Viol_average_violations_only 0.0221
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 39 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 SER 0.285 0.037 10 0 "[ . 1 . 2]"
1 55 ILE 0.285 0.037 10 0 "[ . 1 . 2]"
1 66 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 83 HIS 0.025 0.025 5 0 "[ . 1 . 2]"
1 86 THR 0.025 0.025 5 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 39 LEU H 1 42 ASP H 1.800 . 5.000 4.030 3.581 4.348 . 0 0 "[ . 1 . 2]" 1
2 1 43 SER H 1 46 ASP H 1.800 . 4.000 3.696 3.495 3.957 . 0 0 "[ . 1 . 2]" 1
3 1 46 ASP H 1 49 LYS H 1.800 . 5.000 4.704 4.603 4.819 . 0 0 "[ . 1 . 2]" 1
4 1 49 LYS H 1 52 SER H 1.800 . 5.000 4.648 4.499 4.810 . 0 0 "[ . 1 . 2]" 1
5 1 52 SER H 1 55 ILE H 1.800 . 5.000 4.994 4.902 5.037 0.037 10 0 "[ . 1 . 2]" 1
6 1 66 LYS H 1 69 SER H 1.800 . 5.000 3.005 2.467 3.468 . 0 0 "[ . 1 . 2]" 1
7 1 76 SER H 1 79 ASP H 1.800 . 5.000 4.011 3.824 4.156 . 0 0 "[ . 1 . 2]" 1
8 1 83 HIS H 1 86 THR H 1.800 . 5.000 4.821 4.556 5.025 0.025 5 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 18
_Distance_constraint_stats_list.Viol_count 20
_Distance_constraint_stats_list.Viol_total 17.908
_Distance_constraint_stats_list.Viol_max 0.067
_Distance_constraint_stats_list.Viol_rms 0.0108
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0025
_Distance_constraint_stats_list.Viol_average_violations_only 0.0448
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 30 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 LEU 0.895 0.067 2 0 "[ . 1 . 2]"
1 40 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 GLU 0.895 0.067 2 0 "[ . 1 . 2]"
1 42 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 81 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 30 LEU H 1 32 LYS H 1.800 . 5.000 4.119 2.658 4.898 . 0 0 "[ . 1 . 2]" 2
2 1 39 LEU H 1 41 GLU H 1.800 . 5.000 5.045 5.020 5.067 0.067 2 0 "[ . 1 . 2]" 2
3 1 40 ALA H 1 42 ASP H 1.800 . 5.000 4.140 3.938 4.229 . 0 0 "[ . 1 . 2]" 2
4 1 44 VAL H 1 46 ASP H 1.800 . 5.000 4.413 4.235 4.598 . 0 0 "[ . 1 . 2]" 2
5 1 45 GLY H 1 47 PHE H 1.800 . 5.000 3.991 3.872 4.102 . 0 0 "[ . 1 . 2]" 2
6 1 46 ASP H 1 48 LYS H 1.800 . 5.000 4.223 4.045 4.336 . 0 0 "[ . 1 . 2]" 2
7 1 47 PHE H 1 49 LYS H 1.800 . 5.000 3.987 3.862 4.214 . 0 0 "[ . 1 . 2]" 2
8 1 48 LYS H 1 50 VAL H 1.800 . 5.000 4.317 3.923 4.511 . 0 0 "[ . 1 . 2]" 2
9 1 49 LYS H 1 51 LEU H 1.800 . 5.000 4.024 3.895 4.189 . 0 0 "[ . 1 . 2]" 2
10 1 50 VAL H 1 52 SER H 1.800 . 5.000 4.177 3.980 4.367 . 0 0 "[ . 1 . 2]" 2
11 1 51 LEU H 1 53 LEU H 1.800 . 5.000 4.083 3.968 4.184 . 0 0 "[ . 1 . 2]" 2
12 1 52 SER H 1 54 GLN H 1.800 . 5.000 4.456 4.084 4.748 . 0 0 "[ . 1 . 2]" 2
13 1 53 LEU H 1 55 ILE H 1.800 . 5.000 4.265 3.989 4.441 . 0 0 "[ . 1 . 2]" 2
14 1 54 GLN H 1 56 GLY H 1.800 . 6.000 3.772 3.609 4.047 . 0 0 "[ . 1 . 2]" 2
15 1 73 ASP H 1 75 ILE H 1.800 . 5.000 4.268 4.197 4.318 . 0 0 "[ . 1 . 2]" 2
16 1 77 LEU H 1 79 ASP H 1.800 . 5.000 4.238 4.172 4.331 . 0 0 "[ . 1 . 2]" 2
17 1 78 GLU H 1 80 TYR H 1.800 . 5.000 4.337 4.249 4.405 . 0 0 "[ . 1 . 2]" 2
18 1 79 ASP H 1 81 GLU H 1.800 . 5.000 3.791 3.747 3.861 . 0 0 "[ . 1 . 2]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 11
_Distance_constraint_stats_list.Viol_count 0
_Distance_constraint_stats_list.Viol_total 0.000
_Distance_constraint_stats_list.Viol_max 0.000
_Distance_constraint_stats_list.Viol_rms 0.0000
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0000
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 39 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 88 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 39 LEU QD 1 41 GLU H 1.800 . 7.400 2.828 2.092 3.645 . 0 0 "[ . 1 . 2]" 3
2 1 39 LEU QB 1 41 GLU H 1.800 . 6.000 2.315 2.230 2.470 . 0 0 "[ . 1 . 2]" 3
3 1 40 ALA MB 1 42 ASP H 1.800 . 6.000 4.489 4.366 4.543 . 0 0 "[ . 1 . 2]" 3
4 1 43 SER QB 1 45 GLY H 1.800 . 6.000 2.602 2.224 2.873 . 0 0 "[ . 1 . 2]" 3
5 1 44 VAL QG 1 46 ASP H 1.800 . 7.400 4.698 4.559 4.847 . 0 0 "[ . 1 . 2]" 3
6 1 55 ILE HB 1 57 THR H 1.800 . 5.000 4.019 3.608 4.946 . 0 0 "[ . 1 . 2]" 3
7 1 55 ILE QG 1 57 THR H 1.800 . 6.000 2.206 1.902 2.639 . 0 0 "[ . 1 . 2]" 3
8 1 72 LYS QB 1 74 HIS H 1.800 . 6.000 2.474 2.331 2.816 . 0 0 "[ . 1 . 2]" 3
9 1 76 SER QB 1 78 GLU H 1.800 . 6.000 2.750 2.565 2.893 . 0 0 "[ . 1 . 2]" 3
10 1 80 TYR QB 1 82 VAL H 1.800 . 6.000 4.067 3.631 4.415 . 0 0 "[ . 1 . 2]" 3
11 1 86 THR MG 1 88 LEU H 1.800 . 6.000 4.173 3.819 4.567 . 0 0 "[ . 1 . 2]" 3
stop_
save_
save_distance_constraint_statistics_4
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 4
_Distance_constraint_stats_list.Constraint_count 25
_Distance_constraint_stats_list.Viol_count 1
_Distance_constraint_stats_list.Viol_total 1.357
_Distance_constraint_stats_list.Viol_max 0.068
_Distance_constraint_stats_list.Viol_rms 0.0030
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0001
_Distance_constraint_stats_list.Viol_average_violations_only 0.0678
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 22 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 LEU 0.068 0.068 12 0 "[ . 1 . 2]"
1 52 SER 0.068 0.068 12 0 "[ . 1 . 2]"
1 55 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 22 ILE MG 1 23 GLU H 1.800 . 6.000 3.751 3.695 3.786 . 0 0 "[ . 1 . 2]" 4
2 1 22 ILE MD 1 23 GLU H 1.800 . 6.000 3.983 3.756 4.108 . 0 0 "[ . 1 . 2]" 4
3 1 24 VAL QG 1 25 VAL H 1.800 . 5.900 3.028 1.864 3.400 . 0 0 "[ . 1 . 2]" 4
4 1 35 ARG QG 1 36 VAL H 1.800 . 6.000 3.860 2.448 4.690 . 0 0 "[ . 1 . 2]" 4
5 1 35 ARG QD 1 36 VAL H 1.800 . 6.000 4.586 3.525 5.405 . 0 0 "[ . 1 . 2]" 4
6 1 44 VAL QG 1 45 GLY H 1.800 . 5.900 3.350 3.224 3.456 . 0 0 "[ . 1 . 2]" 4
7 1 47 PHE QD 1 48 LYS H 1.800 . 7.000 3.662 3.329 4.080 . 0 0 "[ . 1 . 2]" 4
8 1 49 LYS QG 1 50 VAL H 1.800 . 6.000 4.107 2.182 4.270 . 0 0 "[ . 1 . 2]" 4
9 1 50 VAL QG 1 51 LEU H 1.800 . 7.400 3.310 3.229 3.383 . 0 0 "[ . 1 . 2]" 4
10 1 51 LEU HG 1 52 SER H 1.800 . 5.000 4.369 3.581 5.068 0.068 12 0 "[ . 1 . 2]" 4
11 1 55 ILE QG 1 56 GLY H 1.800 . 6.000 2.293 1.891 2.482 . 0 0 "[ . 1 . 2]" 4
12 1 57 THR MG 1 58 GLN H 1.800 . 6.000 4.262 4.077 4.495 . 0 0 "[ . 1 . 2]" 4
13 1 61 LYS QG 1 62 ILE H 1.800 . 6.000 4.635 4.469 4.790 . 0 0 "[ . 1 . 2]" 4
14 1 62 ILE QG 1 63 VAL H 1.800 . 6.000 4.099 3.935 4.475 . 0 0 "[ . 1 . 2]" 4
15 1 62 ILE MG 1 63 VAL H 1.800 . 6.000 2.690 2.200 3.857 . 0 0 "[ . 1 . 2]" 4
16 1 63 VAL QG 1 64 LEU H 1.800 . 7.400 2.944 2.612 3.179 . 0 0 "[ . 1 . 2]" 4
17 1 64 LEU HG 1 65 GLN H 1.800 . 5.000 4.272 3.246 4.823 . 0 0 "[ . 1 . 2]" 4
18 1 64 LEU QD 1 65 GLN H 1.800 . 7.400 3.207 2.878 3.419 . 0 0 "[ . 1 . 2]" 4
19 1 65 GLN QG 1 66 LYS H 1.800 . 6.000 4.454 4.093 4.627 . 0 0 "[ . 1 . 2]" 4
20 1 70 VAL QG 1 71 LEU H 1.800 . 7.400 2.749 2.130 3.602 . 0 0 "[ . 1 . 2]" 4
21 1 71 LEU QD 1 72 LYS H 1.800 . 7.400 3.662 3.545 3.790 . 0 0 "[ . 1 . 2]" 4
22 1 72 LYS QG 1 73 ASP H 1.800 . 6.000 3.137 2.168 4.046 . 0 0 "[ . 1 . 2]" 4
23 1 77 LEU HG 1 78 GLU H 1.800 . 5.000 4.476 4.358 4.605 . 0 0 "[ . 1 . 2]" 4
24 1 77 LEU QD 1 78 GLU H 1.800 . 7.400 4.136 4.037 4.170 . 0 0 "[ . 1 . 2]" 4
25 1 78 GLU QG 1 79 ASP H 1.800 . 5.000 4.072 1.898 4.531 . 0 0 "[ . 1 . 2]" 4
stop_
save_
save_distance_constraint_statistics_5
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 5
_Distance_constraint_stats_list.Constraint_count 366
_Distance_constraint_stats_list.Viol_count 69
_Distance_constraint_stats_list.Viol_total 56.470
_Distance_constraint_stats_list.Viol_max 0.177
_Distance_constraint_stats_list.Viol_rms 0.0053
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0004
_Distance_constraint_stats_list.Viol_average_violations_only 0.0409
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 21 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 ILE 0.020 0.016 15 0 "[ . 1 . 2]"
1 23 GLU 0.003 0.003 7 0 "[ . 1 . 2]"
1 24 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 VAL 0.037 0.037 9 0 "[ . 1 . 2]"
1 27 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 ASP 0.017 0.017 4 0 "[ . 1 . 2]"
1 29 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 VAL 0.188 0.151 1 0 "[ . 1 . 2]"
1 35 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 VAL 0.027 0.027 13 0 "[ . 1 . 2]"
1 37 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 VAL 0.642 0.177 10 0 "[ . 1 . 2]"
1 45 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 PHE 0.203 0.086 2 0 "[ . 1 . 2]"
1 48 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 LEU 0.031 0.027 13 0 "[ . 1 . 2]"
1 52 SER 0.135 0.063 13 0 "[ . 1 . 2]"
1 54 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 ILE 0.262 0.151 1 0 "[ . 1 . 2]"
1 56 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 THR 0.389 0.052 19 0 "[ . 1 . 2]"
1 58 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 LYS 0.371 0.052 19 0 "[ . 1 . 2]"
1 62 ILE 0.547 0.133 16 0 "[ . 1 . 2]"
1 63 VAL 0.016 0.016 6 0 "[ . 1 . 2]"
1 64 LEU 0.203 0.086 2 0 "[ . 1 . 2]"
1 65 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 LYS 0.191 0.116 3 0 "[ . 1 . 2]"
1 69 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 LEU 0.664 0.177 10 0 "[ . 1 . 2]"
1 72 LYS 0.255 0.087 16 0 "[ . 1 . 2]"
1 73 ASP 0.132 0.068 10 0 "[ . 1 . 2]"
1 74 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 ILE 0.255 0.087 16 0 "[ . 1 . 2]"
1 76 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 TYR 0.037 0.037 19 0 "[ . 1 . 2]"
1 82 VAL 0.231 0.095 11 0 "[ . 1 . 2]"
1 83 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 ASP 0.020 0.016 15 0 "[ . 1 . 2]"
1 85 GLN 0.003 0.003 7 0 "[ . 1 . 2]"
1 86 THR 0.231 0.095 11 0 "[ . 1 . 2]"
1 87 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 88 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 90 LEU 0.525 0.133 16 0 "[ . 1 . 2]"
1 91 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 92 TYR 0.016 0.016 6 0 "[ . 1 . 2]"
1 93 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 22 ILE H 1 39 LEU QB 1.800 . 6.000 5.030 4.874 5.152 . 0 0 "[ . 1 . 2]" 5
2 1 22 ILE H 1 24 VAL QG 1.800 . 7.400 4.701 4.537 4.880 . 0 0 "[ . 1 . 2]" 5
3 1 23 GLU H 1 84 ASP QB 1.800 . 6.000 3.481 2.645 4.199 . 0 0 "[ . 1 . 2]" 5
4 1 24 VAL H 1 35 ARG QB 1.800 . 6.000 5.023 4.504 5.371 . 0 0 "[ . 1 . 2]" 5
5 1 25 VAL H 1 87 ASN QB 1.800 . 6.000 5.344 5.226 5.443 . 0 0 "[ . 1 . 2]" 5
6 1 25 VAL H 1 88 LEU QB 1.800 . 6.000 4.157 3.606 4.768 . 0 0 "[ . 1 . 2]" 5
7 1 25 VAL H 1 88 LEU QD 1.800 . 7.400 3.949 3.473 4.392 . 0 0 "[ . 1 . 2]" 5
8 1 26 VAL H 1 36 VAL QG 1.800 . 7.400 4.105 3.723 4.600 . 0 0 "[ . 1 . 2]" 5
9 1 26 VAL H 1 33 LYS QG 1.800 . 6.000 4.530 3.355 5.403 . 0 0 "[ . 1 . 2]" 5
10 1 26 VAL H 1 34 VAL HB 1.800 . 5.000 4.069 3.550 5.037 0.037 9 0 "[ . 1 . 2]" 5
11 1 27 ASN H 1 88 LEU QB 1.800 . 6.000 4.149 3.927 4.461 . 0 0 "[ . 1 . 2]" 5
12 1 27 ASN H 1 89 GLU QG 1.800 . 6.000 4.196 3.855 4.594 . 0 0 "[ . 1 . 2]" 5
13 1 27 ASN H 1 90 LEU QD 1.800 . 7.400 4.852 4.390 5.192 . 0 0 "[ . 1 . 2]" 5
14 1 28 ASP H 1 32 LYS QB 1.800 . 6.000 3.153 2.239 4.142 . 0 0 "[ . 1 . 2]" 5
15 1 28 ASP H 1 34 VAL QG 1.800 . 7.400 4.510 3.795 4.946 . 0 0 "[ . 1 . 2]" 5
16 1 26 VAL QG 1 34 VAL H 1.800 . 7.400 3.051 2.139 4.257 . 0 0 "[ . 1 . 2]" 5
17 1 26 VAL HB 1 34 VAL H 1.800 . 5.000 4.101 3.166 4.775 . 0 0 "[ . 1 . 2]" 5
18 1 37 LYS H 1 50 VAL MG1 1.800 . 7.400 3.191 2.355 3.722 . 0 0 "[ . 1 . 2]" 5
19 1 21 MET QG 1 38 CYS H 1.800 . 6.000 3.437 2.943 4.240 . 0 0 "[ . 1 . 2]" 5
20 1 22 ILE MD 1 38 CYS H 1.800 . 6.000 4.277 3.861 4.503 . 0 0 "[ . 1 . 2]" 5
21 1 22 ILE QG 1 38 CYS H 1.800 . 6.000 2.765 2.352 2.960 . 0 0 "[ . 1 . 2]" 5
22 1 22 ILE MG 1 38 CYS H 1.800 . 6.000 4.960 4.801 5.033 . 0 0 "[ . 1 . 2]" 5
23 1 24 VAL QG 1 38 CYS H 1.800 . 7.400 3.558 3.245 3.853 . 0 0 "[ . 1 . 2]" 5
24 1 22 ILE QG 1 39 LEU H 1.800 . 6.000 4.745 3.728 4.979 . 0 0 "[ . 1 . 2]" 5
25 1 39 LEU H 1 41 GLU QG 1.800 . 6.000 4.597 4.465 4.812 . 0 0 "[ . 1 . 2]" 5
26 1 39 LEU H 1 42 ASP QB 1.800 . 6.000 2.846 2.115 3.576 . 0 0 "[ . 1 . 2]" 5
27 1 22 ILE MD 1 40 ALA H 1.800 . 6.000 4.193 3.470 4.530 . 0 0 "[ . 1 . 2]" 5
28 1 41 GLU H 1 42 ASP QB 1.800 . 6.000 4.244 4.112 4.395 . 0 0 "[ . 1 . 2]" 5
29 1 38 CYS QB 1 42 ASP H 1.800 . 6.000 4.886 4.752 5.003 . 0 0 "[ . 1 . 2]" 5
30 1 39 LEU QB 1 42 ASP H 1.800 . 6.000 2.584 2.409 2.889 . 0 0 "[ . 1 . 2]" 5
31 1 39 LEU QD 1 42 ASP H 1.800 . 7.400 3.864 3.604 4.137 . 0 0 "[ . 1 . 2]" 5
32 1 42 ASP H 1 77 LEU QD 1.800 . 7.400 3.391 3.163 3.573 . 0 0 "[ . 1 . 2]" 5
33 1 43 SER H 1 46 ASP QB 1.800 . 6.000 2.837 2.599 3.017 . 0 0 "[ . 1 . 2]" 5
34 1 43 SER H 1 77 LEU QD 1.800 . 7.400 4.167 3.900 4.488 . 0 0 "[ . 1 . 2]" 5
35 1 44 VAL H 1 77 LEU QD 1.800 . 7.400 3.925 3.721 4.259 . 0 0 "[ . 1 . 2]" 5
36 1 45 GLY H 1 73 ASP QB 1.800 . 6.000 2.747 2.578 2.963 . 0 0 "[ . 1 . 2]" 5
37 1 46 ASP H 1 49 LYS QG 1.800 . 6.000 4.685 4.102 5.055 . 0 0 "[ . 1 . 2]" 5
38 1 46 ASP H 1 73 ASP QB 1.800 . 6.000 4.464 4.206 4.728 . 0 0 "[ . 1 . 2]" 5
39 1 44 VAL QG 1 48 LYS H 1.800 . 7.400 3.533 3.285 3.687 . 0 0 "[ . 1 . 2]" 5
40 1 48 LYS H 1 51 LEU QB 1.800 . 6.000 4.728 4.506 4.929 . 0 0 "[ . 1 . 2]" 5
41 1 48 LYS H 1 64 LEU QD 1.800 . 7.400 3.761 3.093 4.131 . 0 0 "[ . 1 . 2]" 5
42 1 46 ASP QB 1 49 LYS H 1.800 . 6.000 4.819 4.629 4.986 . 0 0 "[ . 1 . 2]" 5
43 1 36 VAL MG2 1 50 VAL H 1.800 . 6.000 4.321 3.898 4.659 . 0 0 "[ . 1 . 2]" 5
44 1 46 ASP QB 1 50 VAL H 1.800 . 6.000 5.145 4.556 5.346 . 0 0 "[ . 1 . 2]" 5
45 1 36 VAL QG 1 51 LEU H 1.800 . 7.400 3.024 2.471 3.504 . 0 0 "[ . 1 . 2]" 5
46 1 52 SER H 1 62 ILE MD 1.800 . 6.000 2.843 2.516 3.314 . 0 0 "[ . 1 . 2]" 5
47 1 57 THR HB 1 61 LYS H 1.800 . 5.000 4.816 3.908 5.050 0.050 19 0 "[ . 1 . 2]" 5
48 1 57 THR MG 1 61 LYS H 1.800 . 6.000 4.111 3.207 4.936 . 0 0 "[ . 1 . 2]" 5
49 1 58 GLN QG 1 61 LYS H 1.800 . 6.000 4.958 2.338 5.460 . 0 0 "[ . 1 . 2]" 5
50 1 57 THR MG 1 62 ILE H 1.800 . 6.000 4.249 3.489 4.950 . 0 0 "[ . 1 . 2]" 5
51 1 48 LYS QE 1 62 ILE H 1.800 . 6.000 4.749 4.108 5.205 . 0 0 "[ . 1 . 2]" 5
52 1 63 VAL H 1 91 TYR QB 1.800 . 5.000 3.664 3.330 3.840 . 0 0 "[ . 1 . 2]" 5
53 1 63 VAL H 1 90 LEU QD 1.800 . 7.400 2.758 2.491 3.048 . 0 0 "[ . 1 . 2]" 5
54 1 48 LYS QD 1 64 LEU H 1.800 . 6.000 4.192 3.286 5.077 . 0 0 "[ . 1 . 2]" 5
55 1 48 LYS QG 1 64 LEU H 1.800 . 6.000 4.200 3.822 4.592 . 0 0 "[ . 1 . 2]" 5
56 1 48 LYS QE 1 64 LEU H 1.800 . 6.000 3.150 2.089 4.907 . 0 0 "[ . 1 . 2]" 5
57 1 64 LEU H 1 71 LEU QD 1.800 . 7.400 4.413 4.208 4.738 . 0 0 "[ . 1 . 2]" 5
58 1 65 GLN H 1 71 LEU QD 1.800 . 7.400 3.548 3.239 3.919 . 0 0 "[ . 1 . 2]" 5
59 1 65 GLN H 1 88 LEU QD 1.800 . 7.400 3.135 2.420 3.770 . 0 0 "[ . 1 . 2]" 5
60 1 65 GLN H 1 89 GLU QG 1.800 . 6.000 4.822 4.442 4.980 . 0 0 "[ . 1 . 2]" 5
61 1 66 LYS H 1 69 SER QB 1.800 . 6.000 3.604 2.593 4.560 . 0 0 "[ . 1 . 2]" 5
62 1 66 LYS H 1 71 LEU HG 1.800 . 6.000 3.118 2.641 3.570 . 0 0 "[ . 1 . 2]" 5
63 1 66 LYS H 1 71 LEU MD1 1.800 . 6.000 3.507 3.126 4.067 . 0 0 "[ . 1 . 2]" 5
64 1 66 LYS H 1 71 LEU MD2 1.800 . 6.000 2.494 1.993 2.950 . 0 0 "[ . 1 . 2]" 5
65 1 65 GLN QB 1 69 SER H 1.800 . 6.000 2.899 2.443 3.302 . 0 0 "[ . 1 . 2]" 5
66 1 65 GLN QG 1 69 SER H 1.800 . 6.000 4.980 4.474 5.323 . 0 0 "[ . 1 . 2]" 5
67 1 66 LYS QB 1 69 SER H 1.800 . 6.000 4.195 3.624 4.497 . 0 0 "[ . 1 . 2]" 5
68 1 69 SER H 1 71 LEU MD2 1.800 . 6.000 4.668 4.469 4.843 . 0 0 "[ . 1 . 2]" 5
69 1 72 LYS H 1 75 ILE QG 1.800 . 6.000 4.464 3.026 4.739 . 0 0 "[ . 1 . 2]" 5
70 1 44 VAL QG 1 72 LYS H 1.800 . 7.400 2.842 2.609 3.127 . 0 0 "[ . 1 . 2]" 5
71 1 44 VAL QG 1 73 ASP H 1.800 . 7.400 3.448 3.214 3.759 . 0 0 "[ . 1 . 2]" 5
72 1 44 VAL HB 1 75 ILE H 1.800 . 4.000 3.819 3.631 3.972 . 0 0 "[ . 1 . 2]" 5
73 1 44 VAL QG 1 75 ILE H 1.800 . 7.400 3.538 3.363 3.840 . 0 0 "[ . 1 . 2]" 5
74 1 72 LYS QB 1 75 ILE H 1.800 . 5.000 3.065 2.658 3.369 . 0 0 "[ . 1 . 2]" 5
75 1 43 SER QB 1 76 SER H 1.800 . 6.000 4.958 4.250 5.394 . 0 0 "[ . 1 . 2]" 5
76 1 76 SER H 1 79 ASP QB 1.800 . 6.000 3.006 2.643 3.415 . 0 0 "[ . 1 . 2]" 5
77 1 40 ALA MB 1 78 GLU H 1.800 . 6.000 4.103 3.737 4.490 . 0 0 "[ . 1 . 2]" 5
78 1 76 SER QB 1 79 ASP H 1.800 . 6.000 2.786 2.327 3.505 . 0 0 "[ . 1 . 2]" 5
79 1 75 ILE MG 1 79 ASP H 1.800 . 6.000 3.660 3.598 3.809 . 0 0 "[ . 1 . 2]" 5
80 1 77 LEU QB 1 80 TYR H 1.800 . 6.000 4.810 4.755 4.904 . 0 0 "[ . 1 . 2]" 5
81 1 80 TYR H 1 82 VAL QG 1.800 . 7.400 4.221 3.930 5.320 . 0 0 "[ . 1 . 2]" 5
82 1 77 LEU QB 1 82 VAL H 1.800 . 6.000 3.743 3.430 3.957 . 0 0 "[ . 1 . 2]" 5
83 1 77 LEU QD 1 82 VAL H 1.800 . 7.400 4.444 4.088 4.729 . 0 0 "[ . 1 . 2]" 5
84 1 83 HIS H 1 86 THR HB 1.800 . 5.000 2.578 2.186 2.812 . 0 0 "[ . 1 . 2]" 5
85 1 83 HIS H 1 86 THR MG 1.800 . 6.000 2.752 2.444 3.129 . 0 0 "[ . 1 . 2]" 5
86 1 22 ILE HB 1 84 ASP H 1.800 . 5.000 3.910 3.293 4.382 . 0 0 "[ . 1 . 2]" 5
87 1 22 ILE MD 1 84 ASP H 1.800 . 6.000 3.452 3.212 3.710 . 0 0 "[ . 1 . 2]" 5
88 1 22 ILE MG 1 84 ASP H 1.800 . 6.000 3.251 2.573 3.784 . 0 0 "[ . 1 . 2]" 5
89 1 22 ILE HB 1 85 GLN H 1.800 . 6.000 3.571 3.307 3.846 . 0 0 "[ . 1 . 2]" 5
90 1 22 ILE MG 1 85 GLN H 1.800 . 6.000 4.832 4.662 4.992 . 0 0 "[ . 1 . 2]" 5
91 1 22 ILE MD 1 85 GLN H 1.800 . 6.000 3.944 3.409 4.510 . 0 0 "[ . 1 . 2]" 5
92 1 24 VAL QG 1 85 GLN H 1.800 . 7.400 3.270 2.560 4.179 . 0 0 "[ . 1 . 2]" 5
93 1 25 VAL QG 1 85 GLN H 1.800 . 7.400 4.882 4.626 5.188 . 0 0 "[ . 1 . 2]" 5
94 1 24 VAL QG 1 86 THR H 1.800 . 7.400 2.618 1.950 3.328 . 0 0 "[ . 1 . 2]" 5
95 1 25 VAL QG 1 86 THR H 1.800 . 7.400 4.223 3.831 4.443 . 0 0 "[ . 1 . 2]" 5
96 1 25 VAL QG 1 87 ASN H 1.800 . 7.400 4.432 4.023 5.350 . 0 0 "[ . 1 . 2]" 5
97 1 24 VAL QG 1 88 LEU H 1.800 . 7.400 4.543 3.706 4.855 . 0 0 "[ . 1 . 2]" 5
98 1 26 VAL QG 1 88 LEU H 1.800 . 7.400 3.567 3.241 3.972 . 0 0 "[ . 1 . 2]" 5
99 1 26 VAL QG 1 89 GLU H 1.800 . 7.400 3.903 3.298 4.729 . 0 0 "[ . 1 . 2]" 5
100 1 64 LEU QB 1 89 GLU H 1.800 . 6.000 4.581 4.310 4.837 . 0 0 "[ . 1 . 2]" 5
101 1 64 LEU QD 1 89 GLU H 1.800 . 7.400 3.802 3.281 4.121 . 0 0 "[ . 1 . 2]" 5
102 1 65 GLN QB 1 89 GLU H 1.800 . 6.000 3.529 2.842 4.763 . 0 0 "[ . 1 . 2]" 5
103 1 26 VAL QG 1 90 LEU H 1.800 . 7.400 3.834 2.780 4.802 . 0 0 "[ . 1 . 2]" 5
104 1 90 LEU H 1 91 TYR QB 1.800 . 6.000 5.229 5.109 5.351 . 0 0 "[ . 1 . 2]" 5
105 1 27 ASN QB 1 90 LEU H 1.800 . 6.000 4.378 3.301 5.018 . 0 0 "[ . 1 . 2]" 5
106 1 63 VAL HB 1 91 TYR H 1.800 . 5.000 3.106 2.658 3.339 . 0 0 "[ . 1 . 2]" 5
107 1 63 VAL QG 1 91 TYR H 1.800 . 7.400 3.772 3.461 3.930 . 0 0 "[ . 1 . 2]" 5
108 1 63 VAL HB 1 92 TYR H 1.800 . 5.000 4.670 4.236 5.016 0.016 6 0 "[ . 1 . 2]" 5
109 1 63 VAL QG 1 92 TYR H 1.800 . 7.400 4.477 3.958 4.782 . 0 0 "[ . 1 . 2]" 5
110 1 61 LYS QB 1 93 LEU H 1.800 . 6.000 3.875 3.217 4.650 . 0 0 "[ . 1 . 2]" 5
111 1 61 LYS QG 1 93 LEU H 1.800 . 6.000 3.260 2.313 4.198 . 0 0 "[ . 1 . 2]" 5
112 1 25 VAL HB 1 27 ASN QD 1.800 . 6.000 3.675 2.705 4.855 . 0 0 "[ . 1 . 2]" 5
113 1 25 VAL QG 1 27 ASN QD 1.800 . 8.400 3.077 1.987 3.970 . 0 0 "[ . 1 . 2]" 5
114 1 27 ASN QD 1 88 LEU H 1.800 . 6.000 3.776 3.081 5.031 . 0 0 "[ . 1 . 2]" 5
115 1 27 ASN QD 1 87 ASN HA 1.800 . 6.000 4.122 3.508 4.864 . 0 0 "[ . 1 . 2]" 5
116 1 27 ASN QD 1 87 ASN QB 1.800 . 7.000 4.096 2.740 4.913 . 0 0 "[ . 1 . 2]" 5
117 1 36 VAL QG 1 54 GLN QE 1.800 . 8.400 2.298 1.858 3.138 . 0 0 "[ . 1 . 2]" 5
118 1 34 VAL QG 1 54 GLN QE 1.800 . 8.400 3.017 2.191 4.387 . 0 0 "[ . 1 . 2]" 5
119 1 34 VAL HB 1 54 GLN QE 1.800 . 6.000 4.671 3.824 5.186 . 0 0 "[ . 1 . 2]" 5
120 1 51 LEU QB 1 54 GLN QE 1.800 . 7.000 4.134 3.772 5.084 . 0 0 "[ . 1 . 2]" 5
121 1 36 VAL HA 1 54 GLN QE 1.800 . 6.000 2.462 2.097 2.834 . 0 0 "[ . 1 . 2]" 5
122 1 35 ARG H 1 54 GLN QE 1.800 . 6.000 4.348 3.446 4.852 . 0 0 "[ . 1 . 2]" 5
123 1 36 VAL H 1 54 GLN QE 1.800 . 6.000 4.342 3.848 4.722 . 0 0 "[ . 1 . 2]" 5
124 1 37 LYS H 1 54 GLN QE 1.800 . 6.000 4.057 3.663 4.580 . 0 0 "[ . 1 . 2]" 5
125 1 23 GLU H 1 85 GLN QE 1.800 . 6.000 3.525 2.420 4.482 . 0 0 "[ . 1 . 2]" 5
126 1 23 GLU QB 1 85 GLN QE 1.800 . 7.000 2.292 1.797 4.015 0.003 7 0 "[ . 1 . 2]" 5
127 1 23 GLU QG 1 85 GLN QE 1.800 . 7.000 3.440 1.949 4.314 . 0 0 "[ . 1 . 2]" 5
128 1 25 VAL QG 1 85 GLN QE 1.800 . 8.400 4.419 2.971 5.323 . 0 0 "[ . 1 . 2]" 5
129 1 84 ASP HA 1 85 GLN QE 1.800 . 6.000 4.559 3.627 5.069 . 0 0 "[ . 1 . 2]" 5
130 1 25 VAL HB 1 87 ASN QD 1.800 . 6.000 3.909 2.747 4.652 . 0 0 "[ . 1 . 2]" 5
131 1 25 VAL QG 1 87 ASN QD 1.800 . 8.400 2.663 2.151 3.542 . 0 0 "[ . 1 . 2]" 5
132 1 21 MET HA 1 22 ILE MG 1.800 . 6.000 3.654 3.475 3.828 . 0 0 "[ . 1 . 2]" 5
133 1 22 ILE HA 1 84 ASP QB 1.800 . 6.000 3.583 2.670 4.173 . 0 0 "[ . 1 . 2]" 5
134 1 26 VAL HA 1 88 LEU QB 1.800 . 6.000 2.698 2.496 3.010 . 0 0 "[ . 1 . 2]" 5
135 1 27 ASN HA 1 33 LYS QG 1.800 . 6.000 3.447 2.043 5.026 . 0 0 "[ . 1 . 2]" 5
136 1 28 ASP HA 1 90 LEU QB 1.800 . 6.000 2.324 1.783 3.067 0.017 4 0 "[ . 1 . 2]" 5
137 1 28 ASP HA 1 90 LEU MD2 1.800 . 6.000 3.935 3.085 4.526 . 0 0 "[ . 1 . 2]" 5
138 1 33 LYS HA 1 34 VAL MG2 1.800 . 7.400 3.430 3.015 3.793 . 0 0 "[ . 1 . 2]" 5
139 1 34 VAL QG 1 35 ARG HA 1.800 . 7.400 4.020 3.827 4.497 . 0 0 "[ . 1 . 2]" 5
140 1 36 VAL MG1 1 37 LYS HA 1.800 . 6.000 3.997 3.804 4.191 . 0 0 "[ . 1 . 2]" 5
141 1 21 MET ME 1 38 CYS HA 1.800 . 6.000 2.830 2.132 4.009 . 0 0 "[ . 1 . 2]" 5
142 1 38 CYS HA 1 50 VAL MG1 1.800 . 6.000 4.564 4.245 4.798 . 0 0 "[ . 1 . 2]" 5
143 1 38 CYS HA 1 50 VAL MG2 1.800 . 6.000 4.093 3.634 4.486 . 0 0 "[ . 1 . 2]" 5
144 1 22 ILE MG 1 39 LEU HA 1.800 . 6.000 3.738 3.230 4.029 . 0 0 "[ . 1 . 2]" 5
145 1 22 ILE MD 1 40 ALA HA 1.800 . 6.000 3.577 3.244 3.879 . 0 0 "[ . 1 . 2]" 5
146 1 22 ILE MG 1 40 ALA HA 1.800 . 6.000 4.673 4.455 4.835 . 0 0 "[ . 1 . 2]" 5
147 1 40 ALA HA 1 77 LEU QB 1.800 . 6.000 2.617 2.318 2.971 . 0 0 "[ . 1 . 2]" 5
148 1 40 ALA HA 1 77 LEU MD1 1.800 . 6.000 3.200 2.925 3.703 . 0 0 "[ . 1 . 2]" 5
149 1 40 ALA HA 1 77 LEU MD2 1.800 . 6.000 4.585 4.241 4.912 . 0 0 "[ . 1 . 2]" 5
150 1 44 VAL HA 1 77 LEU MD1 1.800 . 6.000 3.520 3.290 3.779 . 0 0 "[ . 1 . 2]" 5
151 1 44 VAL HA 1 77 LEU MD2 1.800 . 6.000 2.743 2.318 3.289 . 0 0 "[ . 1 . 2]" 5
152 1 46 ASP HA 1 50 VAL MG2 1.800 . 6.000 4.003 3.841 4.127 . 0 0 "[ . 1 . 2]" 5
153 1 48 LYS HA 1 62 ILE MD 1.800 . 6.000 2.873 2.158 3.399 . 0 0 "[ . 1 . 2]" 5
154 1 49 LYS HA 1 59 PRO QG 1.800 . 6.000 3.328 2.836 3.964 . 0 0 "[ . 1 . 2]" 5
155 1 36 VAL MG1 1 51 LEU HA 1.800 . 6.000 4.054 3.720 4.386 . 0 0 "[ . 1 . 2]" 5
156 1 36 VAL MG2 1 51 LEU HA 1.800 . 6.000 2.758 2.357 3.170 . 0 0 "[ . 1 . 2]" 5
157 1 50 VAL MG1 1 51 LEU HA 1.800 . 6.000 3.727 3.566 3.938 . 0 0 "[ . 1 . 2]" 5
158 1 51 LEU HA 1 55 ILE MG 1.800 . 6.000 4.587 4.294 4.790 . 0 0 "[ . 1 . 2]" 5
159 1 52 SER HA 1 55 ILE QG 1.800 . 6.000 2.206 1.912 2.814 . 0 0 "[ . 1 . 2]" 5
160 1 52 SER HA 1 55 ILE MG 1.800 . 6.000 4.645 4.051 4.994 . 0 0 "[ . 1 . 2]" 5
161 1 52 SER HA 1 55 ILE MD 1.800 . 6.000 2.992 2.324 4.031 . 0 0 "[ . 1 . 2]" 5
162 1 52 SER HA 1 62 ILE MD 1.800 . 6.000 2.450 1.960 3.436 . 0 0 "[ . 1 . 2]" 5
163 1 52 SER HA 1 57 THR MG 1.800 . 6.000 4.945 4.400 5.085 . 0 0 "[ . 1 . 2]" 5
164 1 56 GLY QA 1 57 THR MG 1.800 . 7.000 5.003 4.223 5.214 . 0 0 "[ . 1 . 2]" 5
165 1 57 THR HA 1 58 GLN QG 1.800 . 6.000 4.615 3.515 5.399 . 0 0 "[ . 1 . 2]" 5
166 1 52 SER QB 1 58 GLN HA 1.800 . 6.000 2.387 1.956 3.737 . 0 0 "[ . 1 . 2]" 5
167 1 58 GLN HA 1 59 PRO QG 1.800 . 6.000 3.921 3.876 3.955 . 0 0 "[ . 1 . 2]" 5
168 1 59 PRO HA 1 62 ILE QG 1.800 . 6.000 3.658 2.399 4.017 . 0 0 "[ . 1 . 2]" 5
169 1 59 PRO HA 1 62 ILE MG 1.800 . 6.000 4.357 3.886 4.955 . 0 0 "[ . 1 . 2]" 5
170 1 59 PRO HA 1 62 ILE MD 1.800 . 6.000 2.547 1.949 2.874 . 0 0 "[ . 1 . 2]" 5
171 1 61 LYS HA 1 93 LEU QB 1.800 . 6.000 4.129 2.026 5.025 . 0 0 "[ . 1 . 2]" 5
172 1 61 LYS HA 1 93 LEU QD 1.800 . 7.400 4.443 2.838 5.394 . 0 0 "[ . 1 . 2]" 5
173 1 62 ILE HA 1 92 TYR QB 1.800 . 6.000 5.022 4.624 5.380 . 0 0 "[ . 1 . 2]" 5
174 1 62 ILE HA 1 90 LEU MD1 1.800 . 6.000 3.255 2.422 3.564 . 0 0 "[ . 1 . 2]" 5
175 1 64 LEU HA 1 90 LEU MD1 1.800 . 6.000 3.140 2.896 3.435 . 0 0 "[ . 1 . 2]" 5
176 1 65 GLN HA 1 70 VAL QG 1.800 . 7.400 3.923 3.557 4.285 . 0 0 "[ . 1 . 2]" 5
177 1 65 GLN HA 1 71 LEU HG 1.800 . 6.000 2.484 2.095 3.207 . 0 0 "[ . 1 . 2]" 5
178 1 65 GLN HA 1 71 LEU MD1 1.800 . 7.400 3.560 3.198 4.031 . 0 0 "[ . 1 . 2]" 5
179 1 65 GLN HA 1 71 LEU MD2 1.800 . 7.400 3.344 2.979 3.983 . 0 0 "[ . 1 . 2]" 5
180 1 63 VAL HA 1 64 LEU MD1 1.800 . 6.000 4.612 4.252 4.842 . 0 0 "[ . 1 . 2]" 5
181 1 70 VAL HA 1 71 LEU MD2 1.800 . 6.000 3.971 3.698 4.173 . 0 0 "[ . 1 . 2]" 5
182 1 65 GLN QB 1 70 VAL HA 1.800 . 6.000 3.455 2.079 4.186 . 0 0 "[ . 1 . 2]" 5
183 1 65 GLN QG 1 70 VAL HA 1.800 . 6.000 3.135 2.138 4.010 . 0 0 "[ . 1 . 2]" 5
184 1 44 VAL MG1 1 71 LEU HA 1.800 . 6.000 3.864 3.665 4.121 . 0 0 "[ . 1 . 2]" 5
185 1 44 VAL MG2 1 71 LEU HA 1.800 . 6.000 3.347 3.117 3.576 . 0 0 "[ . 1 . 2]" 5
186 1 71 LEU HA 1 80 TYR QE 1.800 . 7.000 2.957 2.739 3.068 . 0 0 "[ . 1 . 2]" 5
187 1 44 VAL HB 1 73 ASP HA 1.800 . 5.000 1.933 1.732 2.305 0.068 10 0 "[ . 1 . 2]" 5
188 1 44 VAL MG1 1 73 ASP HA 1.800 . 6.000 3.134 2.568 3.747 . 0 0 "[ . 1 . 2]" 5
189 1 44 VAL MG2 1 73 ASP HA 1.800 . 6.000 3.578 3.362 3.799 . 0 0 "[ . 1 . 2]" 5
190 1 75 ILE HA 1 80 TYR QE 1.800 . 7.000 4.759 4.673 4.925 . 0 0 "[ . 1 . 2]" 5
191 1 44 VAL MG2 1 77 LEU HA 1.800 . 6.000 3.163 2.846 3.371 . 0 0 "[ . 1 . 2]" 5
192 1 77 LEU HA 1 80 TYR QB 1.800 . 6.000 2.849 2.700 2.984 . 0 0 "[ . 1 . 2]" 5
193 1 77 LEU HA 1 82 VAL HB 1.800 . 5.000 4.210 3.697 4.628 . 0 0 "[ . 1 . 2]" 5
194 1 77 LEU HA 1 82 VAL QG 1.800 . 7.400 2.891 2.570 3.970 . 0 0 "[ . 1 . 2]" 5
195 1 40 ALA MB 1 78 GLU HA 1.800 . 6.000 3.168 2.922 3.551 . 0 0 "[ . 1 . 2]" 5
196 1 75 ILE MG 1 79 ASP HA 1.800 . 6.000 4.309 4.222 4.406 . 0 0 "[ . 1 . 2]" 5
197 1 82 VAL HA 1 86 THR HB 1.800 . 5.000 4.215 3.582 4.760 . 0 0 "[ . 1 . 2]" 5
198 1 82 VAL HA 1 86 THR MG 1.800 . 6.000 3.045 2.286 3.571 . 0 0 "[ . 1 . 2]" 5
199 1 22 ILE MD 1 83 HIS HA 1.800 . 6.000 3.097 2.417 3.497 . 0 0 "[ . 1 . 2]" 5
200 1 22 ILE MG 1 83 HIS HA 1.800 . 6.000 3.802 2.961 4.459 . 0 0 "[ . 1 . 2]" 5
201 1 82 VAL QG 1 83 HIS HA 1.800 . 7.400 3.838 3.395 4.024 . 0 0 "[ . 1 . 2]" 5
202 1 22 ILE MD 1 84 ASP HA 1.800 . 6.000 2.497 1.798 3.058 0.002 14 0 "[ . 1 . 2]" 5
203 1 22 ILE HB 1 84 ASP HA 1.800 . 5.000 1.918 1.784 2.078 0.016 15 0 "[ . 1 . 2]" 5
204 1 22 ILE MG 1 84 ASP HA 1.800 . 6.000 3.096 2.926 3.220 . 0 0 "[ . 1 . 2]" 5
205 1 24 VAL QG 1 84 ASP HA 1.800 . 7.400 3.343 2.762 4.207 . 0 0 "[ . 1 . 2]" 5
206 1 25 VAL QG 1 85 GLN HA 1.800 . 7.400 3.453 2.959 3.768 . 0 0 "[ . 1 . 2]" 5
207 1 25 VAL QG 1 87 ASN HA 1.800 . 7.400 2.457 1.942 3.709 . 0 0 "[ . 1 . 2]" 5
208 1 25 VAL HB 1 87 ASN HA 1.800 . 5.000 4.094 2.656 4.733 . 0 0 "[ . 1 . 2]" 5
209 1 27 ASN QB 1 89 GLU HA 1.800 . 6.000 3.875 2.865 4.795 . 0 0 "[ . 1 . 2]" 5
210 1 64 LEU MD2 1 90 LEU HA 1.800 . 6.000 3.395 2.700 4.516 . 0 0 "[ . 1 . 2]" 5
211 1 62 ILE MG 1 92 TYR HA 1.800 . 6.000 4.704 3.618 4.905 . 0 0 "[ . 1 . 2]" 5
212 1 63 VAL QG 1 92 TYR HA 1.800 . 7.400 3.642 3.243 3.945 . 0 0 "[ . 1 . 2]" 5
213 1 22 ILE MD 1 24 VAL QG 1.800 . 8.400 2.021 1.886 2.233 . 0 0 "[ . 1 . 2]" 5
214 1 22 ILE MD 1 40 ALA MB 1.800 . 7.000 3.236 2.657 3.510 . 0 0 "[ . 1 . 2]" 5
215 1 22 ILE MD 1 77 LEU MD1 1.800 . 7.000 4.042 3.480 4.352 . 0 0 "[ . 1 . 2]" 5
216 1 22 ILE QG 1 86 THR MG 1.800 . 7.000 4.865 4.624 5.039 . 0 0 "[ . 1 . 2]" 5
217 1 22 ILE MG 1 24 VAL QG 1.800 . 8.400 4.275 4.069 4.618 . 0 0 "[ . 1 . 2]" 5
218 1 22 ILE MG 1 40 ALA MB 1.800 . 7.000 3.255 2.832 3.573 . 0 0 "[ . 1 . 2]" 5
219 1 22 ILE MG 1 84 ASP QB 1.800 . 7.000 2.324 1.850 2.796 . 0 0 "[ . 1 . 2]" 5
220 1 24 VAL HB 1 47 PHE QD 1.800 . 7.000 6.086 4.851 6.512 . 0 0 "[ . 1 . 2]" 5
221 1 24 VAL HB 1 47 PHE QE 1.800 . 7.000 4.035 2.705 4.611 . 0 0 "[ . 1 . 2]" 5
222 1 24 VAL HB 1 47 PHE HZ 1.800 . 7.000 3.546 2.031 4.284 . 0 0 "[ . 1 . 2]" 5
223 1 24 VAL QG 1 77 LEU MD1 1.800 . 8.400 4.086 3.745 4.313 . 0 0 "[ . 1 . 2]" 5
224 1 26 VAL QG 1 47 PHE QD 1.800 . 9.400 4.281 3.803 4.720 . 0 0 "[ . 1 . 2]" 5
225 1 26 VAL QG 1 47 PHE QE 1.800 . 9.400 2.571 2.049 3.161 . 0 0 "[ . 1 . 2]" 5
226 1 26 VAL QG 1 47 PHE HZ 1.800 . 9.400 2.587 2.135 3.242 . 0 0 "[ . 1 . 2]" 5
227 1 26 VAL QG 1 88 LEU MD1 1.800 . 8.400 2.893 2.303 3.632 . 0 0 "[ . 1 . 2]" 5
228 1 28 ASP QB 1 90 LEU MD2 1.800 . 7.000 3.450 1.896 4.486 . 0 0 "[ . 1 . 2]" 5
229 1 28 ASP QB 1 92 TYR QE 1.800 . 8.000 3.930 1.992 5.133 . 0 0 "[ . 1 . 2]" 5
230 1 29 ARG QD 1 91 TYR QD 1.800 . 8.000 4.795 3.297 6.030 . 0 0 "[ . 1 . 2]" 5
231 1 29 ARG QG 1 91 TYR QE 1.800 . 8.000 3.674 2.023 5.117 . 0 0 "[ . 1 . 2]" 5
232 1 29 ARG QD 1 91 TYR QE 1.800 . 8.000 3.649 1.912 5.272 . 0 0 "[ . 1 . 2]" 5
233 1 32 LYS QG 1 34 VAL MG2 1.800 . 7.000 3.756 2.360 4.872 . 0 0 "[ . 1 . 2]" 5
234 1 32 LYS QD 1 34 VAL MG2 1.800 . 7.000 3.691 2.449 4.925 . 0 0 "[ . 1 . 2]" 5
235 1 34 VAL HB 1 55 ILE MG 1.800 . 6.000 3.505 2.826 4.042 . 0 0 "[ . 1 . 2]" 5
236 1 34 VAL MG2 1 55 ILE MG 1.800 . 7.000 2.044 1.649 2.462 0.151 1 0 "[ . 1 . 2]" 5
237 1 36 VAL MG1 1 38 CYS QB 1.800 . 7.000 3.984 3.290 4.516 . 0 0 "[ . 1 . 2]" 5
238 1 36 VAL MG1 1 47 PHE QD 1.800 . 8.000 3.627 3.433 3.759 . 0 0 "[ . 1 . 2]" 5
239 1 36 VAL MG1 1 47 PHE QE 1.800 . 8.000 2.295 1.832 2.642 . 0 0 "[ . 1 . 2]" 5
240 1 36 VAL MG1 1 47 PHE HZ 1.800 . 6.000 2.318 2.161 2.572 . 0 0 "[ . 1 . 2]" 5
241 1 36 VAL MG1 1 50 VAL HB 1.800 . 6.000 4.374 4.036 4.731 . 0 0 "[ . 1 . 2]" 5
242 1 36 VAL MG1 1 50 VAL MG1 1.800 . 7.000 4.134 3.853 4.272 . 0 0 "[ . 1 . 2]" 5
243 1 36 VAL MG1 1 51 LEU MD2 1.800 . 7.000 2.812 1.773 3.730 0.027 13 0 "[ . 1 . 2]" 5
244 1 36 VAL MG2 1 47 PHE QE 1.800 . 8.000 3.474 2.637 4.027 . 0 0 "[ . 1 . 2]" 5
245 1 38 CYS QB 1 47 PHE QD 1.800 . 8.000 2.613 1.930 3.909 . 0 0 "[ . 1 . 2]" 5
246 1 38 CYS QB 1 50 VAL MG2 1.800 . 7.000 3.763 2.767 4.323 . 0 0 "[ . 1 . 2]" 5
247 1 38 CYS QB 1 77 LEU MD1 1.800 . 7.000 2.669 2.360 3.226 . 0 0 "[ . 1 . 2]" 5
248 1 40 ALA MB 1 78 GLU QB 1.800 . 7.000 3.434 2.489 3.954 . 0 0 "[ . 1 . 2]" 5
249 1 40 ALA MB 1 78 GLU QG 1.800 . 7.000 3.163 1.855 4.652 . 0 0 "[ . 1 . 2]" 5
250 1 42 ASP QB 1 77 LEU MD1 1.800 . 7.000 2.359 1.904 2.581 . 0 0 "[ . 1 . 2]" 5
251 1 44 VAL MG1 1 71 LEU MD1 1.800 . 7.000 3.015 2.605 3.234 . 0 0 "[ . 1 . 2]" 5
252 1 44 VAL MG1 1 71 LEU MD2 1.800 . 7.000 4.067 3.755 4.253 . 0 0 "[ . 1 . 2]" 5
253 1 44 VAL MG1 1 80 TYR QE 1.800 . 8.000 3.938 3.562 4.235 . 0 0 "[ . 1 . 2]" 5
254 1 44 VAL MG2 1 71 LEU QB 1.800 . 7.000 1.836 1.623 2.128 0.177 10 0 "[ . 1 . 2]" 5
255 1 44 VAL MG2 1 71 LEU MD1 1.800 . 7.000 2.997 2.759 3.212 . 0 0 "[ . 1 . 2]" 5
256 1 44 VAL MG2 1 71 LEU MD2 1.800 . 7.000 3.297 2.968 3.493 . 0 0 "[ . 1 . 2]" 5
257 1 44 VAL MG2 1 75 ILE HB 1.800 . 7.000 3.068 2.500 3.434 . 0 0 "[ . 1 . 2]" 5
258 1 44 VAL MG2 1 75 ILE MG 1.800 . 7.000 3.476 3.188 3.738 . 0 0 "[ . 1 . 2]" 5
259 1 44 VAL MG2 1 75 ILE MD 1.800 . 7.000 3.967 3.652 4.785 . 0 0 "[ . 1 . 2]" 5
260 1 44 VAL MG2 1 77 LEU HG 1.800 . 6.000 2.993 2.527 3.377 . 0 0 "[ . 1 . 2]" 5
261 1 44 VAL MG2 1 77 LEU MD1 1.800 . 7.000 4.076 3.828 4.377 . 0 0 "[ . 1 . 2]" 5
262 1 44 VAL MG2 1 77 LEU MD2 1.800 . 7.000 2.410 2.070 2.779 . 0 0 "[ . 1 . 2]" 5
263 1 44 VAL MG2 1 80 TYR QD 1.800 . 8.000 2.498 2.222 2.767 . 0 0 "[ . 1 . 2]" 5
264 1 44 VAL MG2 1 80 TYR QE 1.800 . 8.000 1.962 1.763 2.145 0.037 19 0 "[ . 1 . 2]" 5
265 1 47 PHE QB 1 77 LEU MD2 1.800 . 7.000 2.564 2.182 3.082 . 0 0 "[ . 1 . 2]" 5
266 1 47 PHE QB 1 77 LEU MD1 1.800 . 7.000 2.106 1.851 2.578 . 0 0 "[ . 1 . 2]" 5
267 1 47 PHE QD 1 64 LEU MD1 1.800 . 8.000 1.916 1.714 2.160 0.086 2 0 "[ . 1 . 2]" 5
268 1 47 PHE QD 1 77 LEU MD1 1.800 . 8.000 2.421 1.868 3.188 . 0 0 "[ . 1 . 2]" 5
269 1 47 PHE QD 1 77 LEU MD2 1.800 . 8.000 2.814 2.029 3.403 . 0 0 "[ . 1 . 2]" 5
270 1 47 PHE QE 1 51 LEU MD2 1.800 . 8.000 3.279 1.968 4.570 . 0 0 "[ . 1 . 2]" 5
271 1 47 PHE QE 1 64 LEU MD1 1.800 . 8.000 2.515 1.853 3.356 . 0 0 "[ . 1 . 2]" 5
272 1 47 PHE QE 1 64 LEU MD2 1.800 . 8.000 2.005 1.803 2.294 . 0 0 "[ . 1 . 2]" 5
273 1 47 PHE HZ 1 51 LEU MD2 1.800 . 6.000 4.305 3.456 4.693 . 0 0 "[ . 1 . 2]" 5
274 1 47 PHE HZ 1 64 LEU MD1 1.800 . 6.000 4.354 4.044 4.725 . 0 0 "[ . 1 . 2]" 5
275 1 47 PHE QE 1 88 LEU MD1 1.800 . 8.000 2.978 2.476 4.078 . 0 0 "[ . 1 . 2]" 5
276 1 48 LYS QD 1 62 ILE MG 1.800 . 7.000 3.148 1.944 4.567 . 0 0 "[ . 1 . 2]" 5
277 1 48 LYS QD 1 64 LEU MD1 1.800 . 7.000 3.250 2.761 3.724 . 0 0 "[ . 1 . 2]" 5
278 1 48 LYS QG 1 62 ILE MG 1.800 . 7.000 2.542 1.803 4.691 . 0 0 "[ . 1 . 2]" 5
279 1 48 LYS QE 1 64 LEU MD1 1.800 . 7.000 2.842 2.077 4.224 . 0 0 "[ . 1 . 2]" 5
280 1 51 LEU HG 1 62 ILE MD 1.800 . 7.000 4.195 3.019 5.469 . 0 0 "[ . 1 . 2]" 5
281 1 51 LEU MD2 1 55 ILE MD 1.800 . 7.000 2.766 2.211 4.306 . 0 0 "[ . 1 . 2]" 5
282 1 51 LEU MD2 1 62 ILE MD 1.800 . 7.000 3.448 2.037 4.724 . 0 0 "[ . 1 . 2]" 5
283 1 51 LEU MD2 1 62 ILE MG 1.800 . 7.000 3.256 1.898 4.475 . 0 0 "[ . 1 . 2]" 5
284 1 51 LEU MD2 1 90 LEU MD1 1.800 . 7.000 2.813 1.796 4.272 0.004 14 0 "[ . 1 . 2]" 5
285 1 51 LEU MD2 1 90 LEU MD2 1.800 . 7.000 2.642 1.828 3.949 . 0 0 "[ . 1 . 2]" 5
286 1 52 SER QB 1 62 ILE MD 1.800 . 7.000 2.163 1.737 3.549 0.063 13 0 "[ . 1 . 2]" 5
287 1 54 GLN QB 1 55 ILE MG 1.800 . 7.000 3.301 2.668 3.986 . 0 0 "[ . 1 . 2]" 5
288 1 54 GLN QG 1 55 ILE MG 1.800 . 7.000 4.271 2.214 5.140 . 0 0 "[ . 1 . 2]" 5
289 1 55 ILE MD 1 57 THR HB 1.800 . 6.000 2.357 1.782 3.721 0.018 13 0 "[ . 1 . 2]" 5
290 1 55 ILE MD 1 57 THR MG 1.800 . 7.000 2.920 2.068 3.191 . 0 0 "[ . 1 . 2]" 5
291 1 55 ILE MD 1 90 LEU MD1 1.800 . 7.000 2.958 2.451 4.108 . 0 0 "[ . 1 . 2]" 5
292 1 55 ILE MD 1 90 LEU MD2 1.800 . 7.000 2.229 1.707 2.761 0.093 16 0 "[ . 1 . 2]" 5
293 1 55 ILE QG 1 57 THR MG 1.800 . 7.000 3.986 2.677 4.553 . 0 0 "[ . 1 . 2]" 5
294 1 55 ILE MG 1 57 THR MG 1.800 . 7.000 4.755 4.195 4.845 . 0 0 "[ . 1 . 2]" 5
295 1 55 ILE MG 1 90 LEU MD2 1.800 . 7.000 2.664 1.995 4.097 . 0 0 "[ . 1 . 2]" 5
296 1 57 THR HB 1 62 ILE MD 1.800 . 7.000 2.744 2.201 3.781 . 0 0 "[ . 1 . 2]" 5
297 1 57 THR HB 1 92 TYR QE 1.800 . 7.000 3.671 3.262 4.356 . 0 0 "[ . 1 . 2]" 5
298 1 57 THR MG 1 61 LYS QB 1.800 . 7.000 2.183 1.748 2.958 0.052 19 0 "[ . 1 . 2]" 5
299 1 57 THR MG 1 61 LYS QD 1.800 . 7.000 3.221 2.055 4.244 . 0 0 "[ . 1 . 2]" 5
300 1 57 THR MG 1 62 ILE MD 1.800 . 7.000 3.803 3.369 4.523 . 0 0 "[ . 1 . 2]" 5
301 1 57 THR MG 1 62 ILE QG 1.800 . 7.000 2.767 2.136 4.304 . 0 0 "[ . 1 . 2]" 5
302 1 57 THR MG 1 62 ILE MG 1.800 . 7.000 3.898 2.006 4.536 . 0 0 "[ . 1 . 2]" 5
303 1 57 THR MG 1 90 LEU MD1 1.800 . 7.000 4.547 4.435 4.653 . 0 0 "[ . 1 . 2]" 5
304 1 57 THR MG 1 92 TYR QD 1.800 . 8.000 2.284 1.871 3.594 . 0 0 "[ . 1 . 2]" 5
305 1 57 THR MG 1 92 TYR QE 1.800 . 8.000 2.623 1.839 3.222 . 0 0 "[ . 1 . 2]" 5
306 1 58 GLN QB 1 59 PRO QD 1.800 . 7.000 2.120 1.883 2.661 . 0 0 "[ . 1 . 2]" 5
307 1 58 GLN QG 1 59 PRO QD 1.800 . 7.000 2.843 2.059 3.814 . 0 0 "[ . 1 . 2]" 5
308 1 62 ILE HB 1 90 LEU MD1 1.800 . 6.000 3.988 1.925 4.470 . 0 0 "[ . 1 . 2]" 5
309 1 62 ILE MD 1 90 LEU MD1 1.800 . 7.000 3.612 2.853 3.993 . 0 0 "[ . 1 . 2]" 5
310 1 62 ILE QG 1 92 TYR QE 1.800 . 8.000 3.631 2.777 5.834 . 0 0 "[ . 1 . 2]" 5
311 1 62 ILE MG 1 64 LEU HG 1.800 . 6.000 3.087 2.149 4.913 . 0 0 "[ . 1 . 2]" 5
312 1 62 ILE MG 1 90 LEU MD1 1.800 . 7.000 1.919 1.667 2.608 0.133 16 0 "[ . 1 . 2]" 5
313 1 62 ILE MG 1 90 LEU MD2 1.800 . 7.000 3.338 2.241 3.578 . 0 0 "[ . 1 . 2]" 5
314 1 62 ILE MG 1 92 TYR QD 1.800 . 8.000 4.132 2.326 4.941 . 0 0 "[ . 1 . 2]" 5
315 1 62 ILE MG 1 92 TYR QE 1.800 . 8.000 3.876 1.909 4.685 . 0 0 "[ . 1 . 2]" 5
316 1 63 VAL HB 1 91 TYR QD 1.800 . 7.000 3.983 3.495 4.351 . 0 0 "[ . 1 . 2]" 5
317 1 63 VAL QG 1 91 TYR QD 1.800 . 9.400 3.554 2.917 4.048 . 0 0 "[ . 1 . 2]" 5
318 1 63 VAL QG 1 91 TYR QE 1.800 . 9.400 5.069 4.615 5.535 . 0 0 "[ . 1 . 2]" 5
319 1 64 LEU HG 1 90 LEU MD1 1.800 . 6.000 2.561 2.207 3.265 . 0 0 "[ . 1 . 2]" 5
320 1 64 LEU MD1 1 71 LEU MD1 1.800 . 7.000 3.329 2.606 3.790 . 0 0 "[ . 1 . 2]" 5
321 1 64 LEU MD1 1 88 LEU MD1 1.800 . 7.000 4.284 3.961 4.520 . 0 0 "[ . 1 . 2]" 5
322 1 64 LEU MD2 1 90 LEU MD1 1.800 . 7.000 2.646 1.900 3.769 . 0 0 "[ . 1 . 2]" 5
323 1 64 LEU MD2 1 88 LEU MD1 1.800 . 7.000 2.980 1.878 3.796 . 0 0 "[ . 1 . 2]" 5
324 1 65 GLN QB 1 91 TYR QE 1.800 . 8.000 4.496 2.772 6.025 . 0 0 "[ . 1 . 2]" 5
325 1 65 GLN QB 1 89 GLU QG 1.800 . 7.000 3.449 3.184 4.670 . 0 0 "[ . 1 . 2]" 5
326 1 65 GLN QG 1 90 LEU MD1 1.800 . 7.000 5.030 4.948 5.112 . 0 0 "[ . 1 . 2]" 5
327 1 66 LYS QB 1 71 LEU MD1 1.800 . 7.000 2.851 1.956 4.011 . 0 0 "[ . 1 . 2]" 5
328 1 66 LYS QB 1 71 LEU MD2 1.800 . 7.000 1.989 1.684 2.670 0.116 3 0 "[ . 1 . 2]" 5
329 1 66 LYS QD 1 71 LEU MD2 1.800 . 7.000 3.589 2.519 4.209 . 0 0 "[ . 1 . 2]" 5
330 1 66 LYS QG 1 71 LEU MD1 1.800 . 7.000 2.954 2.231 4.380 . 0 0 "[ . 1 . 2]" 5
331 1 66 LYS QG 1 71 LEU MD2 1.800 . 7.000 2.967 1.988 4.004 . 0 0 "[ . 1 . 2]" 5
332 1 66 LYS QE 1 86 THR MG 1.800 . 7.000 3.463 2.179 4.544 . 0 0 "[ . 1 . 2]" 5
333 1 69 SER QB 1 71 LEU MD2 1.800 . 7.000 3.333 2.626 4.181 . 0 0 "[ . 1 . 2]" 5
334 1 71 LEU QB 1 80 TYR QE 1.800 . 8.000 3.059 2.600 3.517 . 0 0 "[ . 1 . 2]" 5
335 1 71 LEU MD1 1 80 TYR QE 1.800 . 8.000 4.461 4.175 4.792 . 0 0 "[ . 1 . 2]" 5
336 1 71 LEU MD1 1 82 VAL QG 1.800 . 8.400 3.399 3.072 4.301 . 0 0 "[ . 1 . 2]" 5
337 1 71 LEU MD1 1 88 LEU MD1 1.800 . 7.000 3.130 1.949 3.834 . 0 0 "[ . 1 . 2]" 5
338 1 71 LEU MD2 1 77 LEU MD2 1.800 . 7.000 4.155 3.646 4.509 . 0 0 "[ . 1 . 2]" 5
339 1 71 LEU MD2 1 80 TYR QB 1.800 . 7.000 2.605 2.419 2.823 . 0 0 "[ . 1 . 2]" 5
340 1 71 LEU MD2 1 80 TYR QE 1.800 . 8.000 2.885 2.749 3.118 . 0 0 "[ . 1 . 2]" 5
341 1 71 LEU MD2 1 80 TYR QD 1.800 . 8.000 2.722 2.611 2.843 . 0 0 "[ . 1 . 2]" 5
342 1 71 LEU MD2 1 82 VAL QG 1.800 . 8.400 4.058 3.371 4.991 . 0 0 "[ . 1 . 2]" 5
343 1 72 LYS QB 1 75 ILE MD 1.800 . 7.000 1.936 1.713 3.311 0.087 16 0 "[ . 1 . 2]" 5
344 1 72 LYS QD 1 75 ILE MD 1.800 . 7.000 3.435 2.822 4.088 . 0 0 "[ . 1 . 2]" 5
345 1 72 LYS QE 1 75 ILE MD 1.800 . 7.000 4.597 3.446 5.101 . 0 0 "[ . 1 . 2]" 5
346 1 74 HIS QB 1 80 TYR QE 1.800 . 8.000 5.972 5.817 6.143 . 0 0 "[ . 1 . 2]" 5
347 1 75 ILE HB 1 80 TYR QE 1.800 . 7.000 1.993 1.903 2.126 . 0 0 "[ . 1 . 2]" 5
348 1 75 ILE QG 1 80 TYR QE 1.800 . 8.000 3.780 3.003 3.987 . 0 0 "[ . 1 . 2]" 5
349 1 75 ILE MG 1 79 ASP QB 1.800 . 7.000 1.901 1.810 1.995 . 0 0 "[ . 1 . 2]" 5
350 1 75 ILE MG 1 80 TYR QE 1.800 . 8.000 2.700 2.510 2.939 . 0 0 "[ . 1 . 2]" 5
351 1 75 ILE MG 1 80 TYR QD 1.800 . 8.000 2.975 2.806 3.203 . 0 0 "[ . 1 . 2]" 5
352 1 75 ILE MD 1 80 TYR QE 1.800 . 8.000 3.176 2.804 4.263 . 0 0 "[ . 1 . 2]" 5
353 1 77 LEU MD2 1 82 VAL HB 1.800 . 6.000 3.133 2.212 3.525 . 0 0 "[ . 1 . 2]" 5
354 1 80 TYR QB 1 82 VAL QG 1.800 . 8.400 2.747 2.298 4.304 . 0 0 "[ . 1 . 2]" 5
355 1 82 VAL QG 1 86 THR HB 1.800 . 7.400 3.613 3.488 3.789 . 0 0 "[ . 1 . 2]" 5
356 1 82 VAL QG 1 86 THR MG 1.800 . 8.400 1.897 1.705 2.212 0.095 11 0 "[ . 1 . 2]" 5
357 1 82 VAL QG 1 88 LEU MD1 1.800 . 8.400 2.456 1.845 3.464 . 0 0 "[ . 1 . 2]" 5
358 1 89 GLU QB 1 91 TYR QD 1.800 . 8.000 3.367 2.802 4.671 . 0 0 "[ . 1 . 2]" 5
359 1 89 GLU QB 1 91 TYR QE 1.800 . 8.000 3.320 1.866 5.208 . 0 0 "[ . 1 . 2]" 5
360 1 89 GLU QG 1 91 TYR QE 1.800 . 8.000 3.730 3.014 4.707 . 0 0 "[ . 1 . 2]" 5
361 1 90 LEU MD1 1 92 TYR QE 1.800 . 8.000 3.497 2.773 4.990 . 0 0 "[ . 1 . 2]" 5
362 1 90 LEU MD2 1 92 TYR QE 1.800 . 8.000 2.632 2.165 3.627 . 0 0 "[ . 1 . 2]" 5
363 1 21 MET HA 1 21 MET ME 1.800 . 6.000 4.063 3.426 4.523 . 0 0 "[ . 1 . 2]" 5
364 1 27 ASN H 1 27 ASN QD 1.800 . 6.000 2.804 2.396 3.869 . 0 0 "[ . 1 . 2]" 5
365 1 85 GLN H 1 85 GLN QE 1.800 . 6.000 3.036 2.421 3.924 . 0 0 "[ . 1 . 2]" 5
366 1 87 ASN H 1 87 ASN QD 1.800 . 6.000 4.475 3.102 4.847 . 0 0 "[ . 1 . 2]" 5
stop_
save_
save_distance_constraint_statistics_6
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 6
_Distance_constraint_stats_list.Constraint_count 57
_Distance_constraint_stats_list.Viol_count 1
_Distance_constraint_stats_list.Viol_total 0.649
_Distance_constraint_stats_list.Viol_max 0.032
_Distance_constraint_stats_list.Viol_rms 0.0010
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0324
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 22 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 VAL 0.032 0.032 18 0 "[ . 1 . 2]"
1 35 ARG 0.032 0.032 18 0 "[ . 1 . 2]"
1 36 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 81 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 83 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 88 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 90 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 91 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 92 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 22 ILE HA 1 23 GLU H 1.800 . 2.500 2.400 2.370 2.414 . 0 0 "[ . 1 . 2]" 6
2 1 23 GLU HA 1 24 VAL H 1.800 . 3.500 2.211 2.183 2.307 . 0 0 "[ . 1 . 2]" 6
3 1 24 VAL HA 1 25 VAL H 1.800 . 3.500 2.357 2.278 2.488 . 0 0 "[ . 1 . 2]" 6
4 1 25 VAL HA 1 26 VAL H 1.800 . 3.500 2.226 2.180 2.274 . 0 0 "[ . 1 . 2]" 6
5 1 26 VAL HA 1 27 ASN H 1.800 . 2.500 2.201 2.171 2.275 . 0 0 "[ . 1 . 2]" 6
6 1 27 ASN HA 1 28 ASP H 1.800 . 2.500 2.203 2.169 2.258 . 0 0 "[ . 1 . 2]" 6
7 1 28 ASP HA 1 29 ARG H 1.800 . 5.000 2.995 2.246 3.602 . 0 0 "[ . 1 . 2]" 6
8 1 29 ARG HA 1 30 LEU H 1.800 . 5.000 3.427 2.662 3.603 . 0 0 "[ . 1 . 2]" 6
9 1 30 LEU HA 1 31 GLY H 1.800 . 5.000 3.137 2.188 3.598 . 0 0 "[ . 1 . 2]" 6
10 1 31 GLY QA 1 32 LYS H 1.800 . 6.000 2.598 2.416 2.871 . 0 0 "[ . 1 . 2]" 6
11 1 32 LYS HA 1 33 LYS H 1.800 . 2.500 2.223 2.174 2.371 . 0 0 "[ . 1 . 2]" 6
12 1 33 LYS HA 1 34 VAL H 1.800 . 2.500 2.234 2.172 2.359 . 0 0 "[ . 1 . 2]" 6
13 1 34 VAL HA 1 35 ARG H 1.800 . 2.500 2.292 2.187 2.532 0.032 18 0 "[ . 1 . 2]" 6
14 1 35 ARG HA 1 36 VAL H 1.800 . 2.500 2.241 2.183 2.324 . 0 0 "[ . 1 . 2]" 6
15 1 36 VAL HA 1 37 LYS H 1.800 . 2.500 2.242 2.206 2.314 . 0 0 "[ . 1 . 2]" 6
16 1 37 LYS HA 1 38 CYS H 1.800 . 2.500 2.229 2.193 2.311 . 0 0 "[ . 1 . 2]" 6
17 1 38 CYS HA 1 39 LEU H 1.800 . 3.500 2.437 2.334 2.964 . 0 0 "[ . 1 . 2]" 6
18 1 41 GLU HA 1 42 ASP H 1.800 . 3.500 3.475 3.445 3.494 . 0 0 "[ . 1 . 2]" 6
19 1 42 ASP HA 1 43 SER H 1.800 . 3.500 2.341 2.280 2.430 . 0 0 "[ . 1 . 2]" 6
20 1 43 SER HA 1 44 VAL H 1.800 . 3.500 2.463 2.382 2.553 . 0 0 "[ . 1 . 2]" 6
21 1 44 VAL HA 1 45 GLY H 1.800 . 5.000 3.538 3.519 3.556 . 0 0 "[ . 1 . 2]" 6
22 1 45 GLY QA 1 46 ASP H 1.800 . 4.500 2.681 2.612 2.726 . 0 0 "[ . 1 . 2]" 6
23 1 46 ASP HA 1 47 PHE H 1.800 . 5.000 3.546 3.533 3.556 . 0 0 "[ . 1 . 2]" 6
24 1 47 PHE HA 1 48 LYS H 1.800 . 5.000 3.569 3.540 3.581 . 0 0 "[ . 1 . 2]" 6
25 1 48 LYS HA 1 49 LYS H 1.800 . 4.000 3.534 3.517 3.574 . 0 0 "[ . 1 . 2]" 6
26 1 49 LYS HA 1 50 VAL H 1.800 . 4.000 3.574 3.512 3.593 . 0 0 "[ . 1 . 2]" 6
27 1 51 LEU HA 1 52 SER H 1.800 . 4.000 3.571 3.547 3.586 . 0 0 "[ . 1 . 2]" 6
28 1 52 SER HA 1 53 LEU H 1.800 . 5.000 3.517 3.481 3.548 . 0 0 "[ . 1 . 2]" 6
29 1 55 ILE HA 1 56 GLY H 1.800 . 5.000 3.518 3.481 3.593 . 0 0 "[ . 1 . 2]" 6
30 1 56 GLY QA 1 57 THR H 1.800 . 6.000 2.675 2.560 2.734 . 0 0 "[ . 1 . 2]" 6
31 1 57 THR HA 1 58 GLN H 1.800 . 5.000 3.360 3.232 3.495 . 0 0 "[ . 1 . 2]" 6
32 1 60 ASN HA 1 61 LYS H 1.800 . 5.000 3.503 3.367 3.591 . 0 0 "[ . 1 . 2]" 6
33 1 61 LYS HA 1 62 ILE H 1.800 . 3.500 3.212 3.062 3.381 . 0 0 "[ . 1 . 2]" 6
34 1 62 ILE HA 1 63 VAL H 1.800 . 2.500 2.183 2.156 2.215 . 0 0 "[ . 1 . 2]" 6
35 1 63 VAL HA 1 64 LEU H 1.800 . 2.500 2.215 2.196 2.246 . 0 0 "[ . 1 . 2]" 6
36 1 64 LEU HA 1 65 GLN H 1.800 . 2.500 2.252 2.210 2.299 . 0 0 "[ . 1 . 2]" 6
37 1 65 GLN HA 1 66 LYS H 1.800 . 2.500 2.242 2.186 2.385 . 0 0 "[ . 1 . 2]" 6
38 1 68 GLY QA 1 69 SER H 1.800 . 4.500 2.770 2.660 2.957 . 0 0 "[ . 1 . 2]" 6
39 1 69 SER HA 1 70 VAL H 1.800 . 4.500 2.230 2.195 2.259 . 0 0 "[ . 1 . 2]" 6
40 1 71 LEU HA 1 72 LYS H 1.800 . 2.500 2.207 2.173 2.300 . 0 0 "[ . 1 . 2]" 6
41 1 72 LYS HA 1 73 ASP H 1.800 . 2.500 2.268 2.233 2.324 . 0 0 "[ . 1 . 2]" 6
42 1 73 ASP HA 1 74 HIS H 1.800 . 5.000 3.508 3.482 3.529 . 0 0 "[ . 1 . 2]" 6
43 1 75 ILE HA 1 76 SER H 1.800 . 5.000 2.274 2.249 2.342 . 0 0 "[ . 1 . 2]" 6
44 1 76 SER HA 1 77 LEU H 1.800 . 3.500 2.341 2.315 2.379 . 0 0 "[ . 1 . 2]" 6
45 1 77 LEU HA 1 78 GLU H 1.800 . 5.000 3.544 3.530 3.559 . 0 0 "[ . 1 . 2]" 6
46 1 78 GLU HA 1 79 ASP H 1.800 . 5.000 3.548 3.531 3.560 . 0 0 "[ . 1 . 2]" 6
47 1 79 ASP HA 1 80 TYR H 1.800 . 5.000 3.570 3.560 3.577 . 0 0 "[ . 1 . 2]" 6
48 1 80 TYR HA 1 81 GLU H 1.800 . 5.000 3.447 3.438 3.463 . 0 0 "[ . 1 . 2]" 6
49 1 82 VAL HA 1 83 HIS H 1.800 . 2.500 2.206 2.182 2.276 . 0 0 "[ . 1 . 2]" 6
50 1 83 HIS HA 1 84 ASP H 1.800 . 3.500 2.504 2.338 2.681 . 0 0 "[ . 1 . 2]" 6
51 1 84 ASP HA 1 85 GLN H 1.800 . 2.500 2.233 2.204 2.268 . 0 0 "[ . 1 . 2]" 6
52 1 85 GLN HA 1 86 THR H 1.800 . 3.500 2.903 2.827 2.968 . 0 0 "[ . 1 . 2]" 6
53 1 86 THR HA 1 87 ASN H 1.800 . 2.500 2.383 2.297 2.491 . 0 0 "[ . 1 . 2]" 6
54 1 87 ASN HA 1 88 LEU H 1.800 . 2.500 2.185 2.165 2.233 . 0 0 "[ . 1 . 2]" 6
55 1 89 GLU HA 1 90 LEU H 1.800 . 3.500 2.273 2.231 2.335 . 0 0 "[ . 1 . 2]" 6
56 1 90 LEU HA 1 91 TYR H 1.800 . 2.500 2.213 2.172 2.293 . 0 0 "[ . 1 . 2]" 6
57 1 91 TYR HA 1 92 TYR H 1.800 . 2.500 2.314 2.257 2.405 . 0 0 "[ . 1 . 2]" 6
stop_
save_
save_distance_constraint_statistics_7
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 7
_Distance_constraint_stats_list.Constraint_count 11
_Distance_constraint_stats_list.Viol_count 20
_Distance_constraint_stats_list.Viol_total 21.684
_Distance_constraint_stats_list.Viol_max 0.088
_Distance_constraint_stats_list.Viol_rms 0.0164
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0049
_Distance_constraint_stats_list.Viol_average_violations_only 0.0542
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 21 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 SER 1.084 0.088 5 0 "[ . 1 . 2]"
1 45 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 SER 1.084 0.088 5 0 "[ . 1 . 2]"
1 77 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 81 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 90 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 92 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 21 MET HA 1 39 LEU HA 1.800 . 4.000 2.268 1.977 3.388 . 0 0 "[ . 1 . 2]" 7
2 1 23 GLU HA 1 37 LYS HA 1.800 . 4.000 2.282 2.098 2.523 . 0 0 "[ . 1 . 2]" 7
3 1 25 VAL HA 1 35 ARG HA 1.800 . 4.000 2.428 2.095 2.838 . 0 0 "[ . 1 . 2]" 7
4 1 27 ASN HA 1 33 LYS HA 1.800 . 4.000 2.298 2.027 2.694 . 0 0 "[ . 1 . 2]" 7
5 1 43 SER HA 1 76 SER HA 1.800 . 4.000 1.746 1.712 1.780 0.088 5 0 "[ . 1 . 2]" 7
6 1 45 GLY QA 1 73 ASP HA 1.800 . 5.000 3.026 2.733 3.223 . 0 0 "[ . 1 . 2]" 7
7 1 62 ILE HA 1 92 TYR HA 1.800 . 4.000 3.227 2.707 3.461 . 0 0 "[ . 1 . 2]" 7
8 1 64 LEU HA 1 90 LEU HA 1.800 . 4.000 2.748 2.489 2.984 . 0 0 "[ . 1 . 2]" 7
9 1 65 GLN HA 1 70 VAL HA 1.800 . 4.000 2.623 2.265 2.959 . 0 0 "[ . 1 . 2]" 7
10 1 77 LEU HA 1 78 GLU HA 1.800 . 5.000 4.874 4.848 4.898 . 0 0 "[ . 1 . 2]" 7
11 1 78 GLU HA 1 81 GLU HA 1.800 . 5.000 3.508 3.302 3.666 . 0 0 "[ . 1 . 2]" 7
stop_
save_
save_distance_constraint_statistics_8
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 8
_Distance_constraint_stats_list.Constraint_count 6
_Distance_constraint_stats_list.Viol_count 0
_Distance_constraint_stats_list.Viol_total 0.000
_Distance_constraint_stats_list.Viol_max 0.000
_Distance_constraint_stats_list.Viol_rms 0.0000
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0000
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 45 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 45 GLY QA 1 49 LYS H 1.800 . 6.000 4.135 4.009 4.295 . 0 0 "[ . 1 . 2]" 8
2 1 46 ASP HA 1 50 VAL H 1.800 . 5.000 4.167 4.050 4.324 . 0 0 "[ . 1 . 2]" 8
3 1 47 PHE HA 1 51 LEU H 1.800 . 5.000 4.286 4.026 4.537 . 0 0 "[ . 1 . 2]" 8
4 1 51 LEU HA 1 55 ILE H 1.800 . 5.000 4.220 4.042 4.433 . 0 0 "[ . 1 . 2]" 8
5 1 65 GLN HA 1 69 SER H 1.800 . 5.000 3.939 3.274 4.741 . 0 0 "[ . 1 . 2]" 8
6 1 78 GLU HA 1 82 VAL H 1.800 . 4.000 3.223 2.807 3.532 . 0 0 "[ . 1 . 2]" 8
stop_
save_
save_distance_constraint_statistics_9
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 9
_Distance_constraint_stats_list.Constraint_count 17
_Distance_constraint_stats_list.Viol_count 23
_Distance_constraint_stats_list.Viol_total 21.009
_Distance_constraint_stats_list.Viol_max 0.096
_Distance_constraint_stats_list.Viol_rms 0.0127
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0031
_Distance_constraint_stats_list.Viol_average_violations_only 0.0457
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 22 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 ASP 0.005 0.005 14 0 "[ . 1 . 2]"
1 32 LYS 0.005 0.005 14 0 "[ . 1 . 2]"
1 34 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 GLY 1.046 0.096 8 0 "[ . 1 . 2]"
1 47 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 ASP 0.035 0.022 10 0 "[ . 1 . 2]"
1 75 ILE 1.011 0.096 8 0 "[ . 1 . 2]"
1 77 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 88 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 90 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 91 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 93 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 22 ILE H 1 38 CYS H 1.800 . 4.000 2.881 2.797 3.041 . 0 0 "[ . 1 . 2]" 9
2 1 23 GLU H 1 85 GLN H 1.800 . 4.000 2.973 2.643 3.298 . 0 0 "[ . 1 . 2]" 9
3 1 24 VAL H 1 36 VAL H 1.800 . 4.000 3.310 2.806 3.745 . 0 0 "[ . 1 . 2]" 9
4 1 24 VAL H 1 38 CYS H 1.800 . 5.000 4.396 4.079 4.957 . 0 0 "[ . 1 . 2]" 9
5 1 25 VAL H 1 88 LEU H 1.800 . 4.000 3.766 3.433 3.922 . 0 0 "[ . 1 . 2]" 9
6 1 26 VAL H 1 34 VAL H 1.800 . 4.000 3.119 2.354 3.655 . 0 0 "[ . 1 . 2]" 9
7 1 27 ASN H 1 88 LEU H 1.800 . 5.000 3.924 3.623 4.237 . 0 0 "[ . 1 . 2]" 9
8 1 27 ASN H 1 90 LEU H 1.800 . 5.000 3.519 2.995 3.925 . 0 0 "[ . 1 . 2]" 9
9 1 28 ASP H 1 32 LYS H 1.800 . 5.000 3.567 2.514 5.005 0.005 14 0 "[ . 1 . 2]" 9
10 1 42 ASP H 1 77 LEU H 1.800 . 5.000 4.827 4.640 4.977 . 0 0 "[ . 1 . 2]" 9
11 1 43 SER H 1 47 PHE H 1.800 . 5.000 4.707 4.493 4.874 . 0 0 "[ . 1 . 2]" 9
12 1 44 VAL H 1 75 ILE H 1.800 . 5.000 4.166 3.871 4.513 . 0 0 "[ . 1 . 2]" 9
13 1 45 GLY H 1 73 ASP H 1.800 . 5.000 4.694 4.243 5.022 0.022 10 0 "[ . 1 . 2]" 9
14 1 45 GLY H 1 75 ILE H 1.800 . 5.000 5.051 5.025 5.096 0.096 8 0 "[ . 1 . 2]" 9
15 1 63 VAL H 1 91 TYR H 1.800 . 5.000 2.750 2.562 2.916 . 0 0 "[ . 1 . 2]" 9
16 1 63 VAL H 1 93 LEU H 1.800 . 5.000 4.178 3.794 4.534 . 0 0 "[ . 1 . 2]" 9
17 1 65 GLN H 1 89 GLU H 1.800 . 4.000 2.727 2.463 3.088 . 0 0 "[ . 1 . 2]" 9
stop_
save_
save_distance_constraint_statistics_10
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 10
_Distance_constraint_stats_list.Constraint_count 27
_Distance_constraint_stats_list.Viol_count 21
_Distance_constraint_stats_list.Viol_total 12.486
_Distance_constraint_stats_list.Viol_max 0.074
_Distance_constraint_stats_list.Viol_rms 0.0070
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0012
_Distance_constraint_stats_list.Viol_average_violations_only 0.0297
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 23 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 ARG 0.569 0.074 1 0 "[ . 1 . 2]"
1 36 VAL 0.569 0.074 1 0 "[ . 1 . 2]"
1 37 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 HIS 0.036 0.028 19 0 "[ . 1 . 2]"
1 75 ILE 0.036 0.028 19 0 "[ . 1 . 2]"
1 78 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 81 GLU 0.019 0.019 5 0 "[ . 1 . 2]"
1 82 VAL 0.019 0.019 5 0 "[ . 1 . 2]"
1 85 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 THR 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 23 GLU H 1 24 VAL QG 1.800 . 7.400 3.878 3.636 4.066 . 0 0 "[ . 1 . 2]" 10
2 1 24 VAL H 1 25 VAL QG 1.800 . 7.400 4.462 4.111 4.888 . 0 0 "[ . 1 . 2]" 10
3 1 25 VAL H 1 26 VAL QG 1.800 . 7.400 4.084 3.703 4.353 . 0 0 "[ . 1 . 2]" 10
4 1 33 LYS H 1 34 VAL QG 1.800 . 7.400 3.788 3.278 4.163 . 0 0 "[ . 1 . 2]" 10
5 1 35 ARG H 1 36 VAL HB 1.800 . 5.000 5.026 4.971 5.074 0.074 1 0 "[ . 1 . 2]" 10
6 1 35 ARG H 1 36 VAL QG 1.800 . 7.400 4.942 4.810 5.077 . 0 0 "[ . 1 . 2]" 10
7 1 36 VAL H 1 37 LYS QB 1.800 . 6.000 5.200 5.107 5.293 . 0 0 "[ . 1 . 2]" 10
8 1 40 ALA H 1 41 GLU QG 1.800 . 7.400 3.961 3.858 4.204 . 0 0 "[ . 1 . 2]" 10
9 1 45 GLY H 1 46 ASP QB 1.800 . 6.000 4.555 4.444 4.789 . 0 0 "[ . 1 . 2]" 10
10 1 46 ASP H 1 47 PHE QB 1.800 . 6.000 4.343 4.272 4.420 . 0 0 "[ . 1 . 2]" 10
11 1 47 PHE H 1 48 LYS QB 1.800 . 6.000 4.632 4.553 4.774 . 0 0 "[ . 1 . 2]" 10
12 1 47 PHE H 1 48 LYS QG 1.800 . 6.000 4.714 4.523 5.063 . 0 0 "[ . 1 . 2]" 10
13 1 49 LYS H 1 50 VAL QG 1.800 . 7.400 4.054 3.966 4.175 . 0 0 "[ . 1 . 2]" 10
14 1 50 VAL H 1 51 LEU QB 1.800 . 6.000 4.347 4.159 4.480 . 0 0 "[ . 1 . 2]" 10
15 1 50 VAL H 1 51 LEU QD 1.800 . 7.400 5.128 4.755 5.546 . 0 0 "[ . 1 . 2]" 10
16 1 53 LEU H 1 54 GLN QB 1.800 . 6.000 4.665 4.458 5.004 . 0 0 "[ . 1 . 2]" 10
17 1 53 LEU H 1 54 GLN QG 1.800 . 6.000 4.544 3.732 5.311 . 0 0 "[ . 1 . 2]" 10
18 1 54 GLN H 1 55 ILE QG 1.800 . 6.000 3.654 3.562 3.940 . 0 0 "[ . 1 . 2]" 10
19 1 57 THR H 1 58 GLN QB 1.800 . 6.000 4.896 4.661 5.040 . 0 0 "[ . 1 . 2]" 10
20 1 61 LYS H 1 62 ILE QG 1.800 . 6.000 3.400 2.942 3.761 . 0 0 "[ . 1 . 2]" 10
21 1 62 ILE H 1 63 VAL QG 1.800 . 7.400 4.151 3.993 4.296 . 0 0 "[ . 1 . 2]" 10
22 1 74 HIS H 1 75 ILE HB 1.800 . 5.000 4.922 4.742 5.028 0.028 19 0 "[ . 1 . 2]" 10
23 1 74 HIS H 1 75 ILE QG 1.800 . 6.000 4.907 3.845 5.092 . 0 0 "[ . 1 . 2]" 10
24 1 78 GLU H 1 79 ASP QB 1.800 . 6.000 4.620 4.367 4.806 . 0 0 "[ . 1 . 2]" 10
25 1 81 GLU H 1 82 VAL HB 1.800 . 5.000 4.873 4.627 5.019 0.019 5 0 "[ . 1 . 2]" 10
26 1 81 GLU H 1 82 VAL QG 1.800 . 7.400 3.661 3.365 4.362 . 0 0 "[ . 1 . 2]" 10
27 1 85 GLN H 1 86 THR HB 1.800 . 5.000 4.887 4.829 4.942 . 0 0 "[ . 1 . 2]" 10
stop_
save_
save_distance_constraint_statistics_11
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 11
_Distance_constraint_stats_list.Constraint_count 60
_Distance_constraint_stats_list.Viol_count 7
_Distance_constraint_stats_list.Viol_total 4.641
_Distance_constraint_stats_list.Viol_max 0.049
_Distance_constraint_stats_list.Viol_rms 0.0028
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0002
_Distance_constraint_stats_list.Viol_average_violations_only 0.0332
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 22 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 LYS 0.232 0.049 14 0 "[ . 1 . 2]"
1 62 ILE 0.232 0.049 14 0 "[ . 1 . 2]"
1 63 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 81 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 83 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 88 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 90 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 91 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 92 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 93 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 22 ILE H 1 23 GLU H 1.800 . 5.000 4.520 4.497 4.545 . 0 0 "[ . 1 . 2]" 11
2 1 24 VAL H 1 25 VAL H 1.800 . 5.000 4.531 4.443 4.604 . 0 0 "[ . 1 . 2]" 11
3 1 25 VAL H 1 26 VAL H 1.800 . 5.000 4.417 4.086 4.544 . 0 0 "[ . 1 . 2]" 11
4 1 26 VAL H 1 27 ASN H 1.800 . 5.000 4.403 4.181 4.554 . 0 0 "[ . 1 . 2]" 11
5 1 27 ASN H 1 28 ASP H 1.800 . 5.000 4.417 4.284 4.547 . 0 0 "[ . 1 . 2]" 11
6 1 30 LEU H 1 31 GLY H 1.800 . 6.000 3.144 2.207 4.522 . 0 0 "[ . 1 . 2]" 11
7 1 31 GLY H 1 32 LYS H 1.800 . 5.000 2.655 2.150 3.696 . 0 0 "[ . 1 . 2]" 11
8 1 32 LYS H 1 33 LYS H 1.800 . 5.000 4.228 3.804 4.590 . 0 0 "[ . 1 . 2]" 11
9 1 33 LYS H 1 34 VAL H 1.800 . 5.000 4.318 4.056 4.513 . 0 0 "[ . 1 . 2]" 11
10 1 34 VAL H 1 35 ARG H 1.800 . 5.000 4.482 4.431 4.531 . 0 0 "[ . 1 . 2]" 11
11 1 35 ARG H 1 36 VAL H 1.800 . 5.000 4.503 4.385 4.583 . 0 0 "[ . 1 . 2]" 11
12 1 36 VAL H 1 37 LYS H 1.800 . 5.000 4.335 4.251 4.425 . 0 0 "[ . 1 . 2]" 11
13 1 37 LYS H 1 38 CYS H 1.800 . 5.000 4.521 4.432 4.599 . 0 0 "[ . 1 . 2]" 11
14 1 38 CYS H 1 39 LEU H 1.800 . 5.000 4.393 4.255 4.432 . 0 0 "[ . 1 . 2]" 11
15 1 39 LEU H 1 40 ALA H 1.800 . 5.000 4.630 4.446 4.665 . 0 0 "[ . 1 . 2]" 11
16 1 40 ALA H 1 41 GLU H 1.800 . 3.500 2.641 2.582 2.683 . 0 0 "[ . 1 . 2]" 11
17 1 41 GLU H 1 42 ASP H 1.800 . 3.500 2.424 2.379 2.478 . 0 0 "[ . 1 . 2]" 11
18 1 42 ASP H 1 43 SER H 1.800 . 5.000 4.681 4.665 4.692 . 0 0 "[ . 1 . 2]" 11
19 1 43 SER H 1 44 VAL H 1.800 . 5.000 4.622 4.570 4.667 . 0 0 "[ . 1 . 2]" 11
20 1 44 VAL H 1 45 GLY H 1.800 . 5.000 2.669 2.650 2.704 . 0 0 "[ . 1 . 2]" 11
21 1 45 GLY H 1 46 ASP H 1.800 . 3.500 2.767 2.701 2.821 . 0 0 "[ . 1 . 2]" 11
22 1 46 ASP H 1 47 PHE H 1.800 . 3.500 2.599 2.525 2.670 . 0 0 "[ . 1 . 2]" 11
23 1 47 PHE H 1 48 LYS H 1.800 . 3.500 2.732 2.658 2.790 . 0 0 "[ . 1 . 2]" 11
24 1 48 LYS H 1 49 LYS H 1.800 . 3.500 2.577 2.515 2.633 . 0 0 "[ . 1 . 2]" 11
25 1 49 LYS H 1 50 VAL H 1.800 . 3.500 2.689 2.625 2.777 . 0 0 "[ . 1 . 2]" 11
26 1 50 VAL H 1 51 LEU H 1.800 . 3.500 2.571 2.436 2.674 . 0 0 "[ . 1 . 2]" 11
27 1 51 LEU H 1 52 SER H 1.800 . 3.500 2.656 2.610 2.735 . 0 0 "[ . 1 . 2]" 11
28 1 52 SER H 1 53 LEU H 1.800 . 3.500 2.820 2.687 2.903 . 0 0 "[ . 1 . 2]" 11
29 1 53 LEU H 1 54 GLN H 1.800 . 3.500 2.597 2.512 2.695 . 0 0 "[ . 1 . 2]" 11
30 1 54 GLN H 1 55 ILE H 1.800 . 3.500 2.564 2.516 2.623 . 0 0 "[ . 1 . 2]" 11
31 1 55 ILE H 1 56 GLY H 1.800 . 5.000 2.437 2.252 2.606 . 0 0 "[ . 1 . 2]" 11
32 1 56 GLY H 1 57 THR H 1.800 . 5.000 2.553 2.346 2.665 . 0 0 "[ . 1 . 2]" 11
33 1 60 ASN H 1 61 LYS H 1.800 . 5.000 2.225 1.971 2.435 . 0 0 "[ . 1 . 2]" 11
34 1 61 LYS H 1 62 ILE H 1.800 . 2.500 2.437 2.304 2.549 0.049 14 0 "[ . 1 . 2]" 11
35 1 62 ILE H 1 63 VAL H 1.800 . 5.000 4.463 4.323 4.547 . 0 0 "[ . 1 . 2]" 11
36 1 63 VAL H 1 64 LEU H 1.800 . 5.000 4.164 4.041 4.307 . 0 0 "[ . 1 . 2]" 11
37 1 64 LEU H 1 65 GLN H 1.800 . 5.000 4.581 4.537 4.612 . 0 0 "[ . 1 . 2]" 11
38 1 65 GLN H 1 66 LYS H 1.800 . 5.000 4.386 4.292 4.484 . 0 0 "[ . 1 . 2]" 11
39 1 69 SER H 1 70 VAL H 1.800 . 5.000 4.297 4.154 4.495 . 0 0 "[ . 1 . 2]" 11
40 1 70 VAL H 1 71 LEU H 1.800 . 5.000 4.593 4.501 4.661 . 0 0 "[ . 1 . 2]" 11
41 1 71 LEU H 1 72 LYS H 1.800 . 5.000 4.519 4.411 4.619 . 0 0 "[ . 1 . 2]" 11
42 1 72 LYS H 1 73 ASP H 1.800 . 5.000 4.546 4.490 4.610 . 0 0 "[ . 1 . 2]" 11
43 1 73 ASP H 1 74 HIS H 1.800 . 5.000 2.707 2.604 2.765 . 0 0 "[ . 1 . 2]" 11
44 1 74 HIS H 1 75 ILE H 1.800 . 3.500 2.675 2.606 2.735 . 0 0 "[ . 1 . 2]" 11
45 1 75 ILE H 1 76 SER H 1.800 . 5.000 4.547 4.496 4.633 . 0 0 "[ . 1 . 2]" 11
46 1 77 LEU H 1 78 GLU H 1.800 . 3.500 2.688 2.661 2.746 . 0 0 "[ . 1 . 2]" 11
47 1 78 GLU H 1 79 ASP H 1.800 . 3.500 2.709 2.662 2.785 . 0 0 "[ . 1 . 2]" 11
48 1 79 ASP H 1 80 TYR H 1.800 . 3.500 2.679 2.589 2.720 . 0 0 "[ . 1 . 2]" 11
49 1 80 TYR H 1 81 GLU H 1.800 . 3.500 2.549 2.512 2.573 . 0 0 "[ . 1 . 2]" 11
50 1 81 GLU H 1 82 VAL H 1.800 . 3.500 2.838 2.662 3.026 . 0 0 "[ . 1 . 2]" 11
51 1 82 VAL H 1 83 HIS H 1.800 . 5.000 4.393 4.091 4.631 . 0 0 "[ . 1 . 2]" 11
52 1 83 HIS H 1 84 ASP H 1.800 . 5.000 4.556 4.439 4.632 . 0 0 "[ . 1 . 2]" 11
53 1 84 ASP H 1 85 GLN H 1.800 . 5.000 4.643 4.609 4.664 . 0 0 "[ . 1 . 2]" 11
54 1 85 GLN H 1 86 THR H 1.800 . 3.500 2.719 2.676 2.784 . 0 0 "[ . 1 . 2]" 11
55 1 86 THR H 1 87 ASN H 1.800 . 5.000 4.631 4.603 4.647 . 0 0 "[ . 1 . 2]" 11
56 1 87 ASN H 1 88 LEU H 1.800 . 5.000 4.473 4.358 4.575 . 0 0 "[ . 1 . 2]" 11
57 1 89 GLU H 1 90 LEU H 1.800 . 5.000 4.554 4.525 4.590 . 0 0 "[ . 1 . 2]" 11
58 1 90 LEU H 1 91 TYR H 1.800 . 5.000 4.411 4.216 4.517 . 0 0 "[ . 1 . 2]" 11
59 1 91 TYR H 1 92 TYR H 1.800 . 5.000 4.415 4.322 4.565 . 0 0 "[ . 1 . 2]" 11
60 1 92 TYR H 1 93 LEU H 1.800 . 5.000 4.380 4.236 4.510 . 0 0 "[ . 1 . 2]" 11
stop_
save_
save_distance_constraint_statistics_12
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 12
_Distance_constraint_stats_list.Constraint_count 1
_Distance_constraint_stats_list.Viol_count 0
_Distance_constraint_stats_list.Viol_total 0.000
_Distance_constraint_stats_list.Viol_max 0.000
_Distance_constraint_stats_list.Viol_rms 0.0000
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0000
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 58 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 58 GLN HA 1 59 PRO QD 1.800 . 5.000 1.937 1.897 1.973 . 0 0 "[ . 1 . 2]" 12
stop_
save_
save_distance_constraint_statistics_13
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 13
_Distance_constraint_stats_list.Constraint_count 16
_Distance_constraint_stats_list.Viol_count 11
_Distance_constraint_stats_list.Viol_total 2.875
_Distance_constraint_stats_list.Viol_max 0.022
_Distance_constraint_stats_list.Viol_rms 0.0026
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0004
_Distance_constraint_stats_list.Viol_average_violations_only 0.0131
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 39 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 ALA 0.132 0.022 1 0 "[ . 1 . 2]"
1 41 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 ASP 0.132 0.022 1 0 "[ . 1 . 2]"
1 43 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 ASP 0.012 0.012 9 0 "[ . 1 . 2]"
1 80 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 81 GLU 0.012 0.012 9 0 "[ . 1 . 2]"
1 84 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 THR 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 39 LEU HA 1 41 GLU H 1.800 . 5.000 3.924 3.815 4.098 . 0 0 "[ . 1 . 2]" 13
2 1 40 ALA HA 1 42 ASP H 1.800 . 4.000 3.975 3.759 4.022 0.022 1 0 "[ . 1 . 2]" 13
3 1 43 SER HA 1 45 GLY H 1.800 . 5.000 4.272 4.230 4.335 . 0 0 "[ . 1 . 2]" 13
4 1 45 GLY QA 1 47 PHE H 1.800 . 6.000 4.006 3.937 4.077 . 0 0 "[ . 1 . 2]" 13
5 1 46 ASP HA 1 48 LYS H 1.800 . 5.000 4.416 4.167 4.541 . 0 0 "[ . 1 . 2]" 13
6 1 47 PHE HA 1 49 LYS H 1.800 . 5.000 4.323 4.193 4.634 . 0 0 "[ . 1 . 2]" 13
7 1 49 LYS HA 1 51 LEU H 1.800 . 5.000 4.482 4.273 4.637 . 0 0 "[ . 1 . 2]" 13
8 1 52 SER HA 1 54 GLN H 1.800 . 5.000 4.289 4.074 4.549 . 0 0 "[ . 1 . 2]" 13
9 1 59 PRO HA 1 61 LYS H 1.800 . 5.000 4.199 3.892 4.545 . 0 0 "[ . 1 . 2]" 13
10 1 72 LYS HA 1 74 HIS H 1.800 . 5.000 4.010 3.931 4.108 . 0 0 "[ . 1 . 2]" 13
11 1 73 ASP HA 1 75 ILE H 1.800 . 5.000 3.701 3.503 3.908 . 0 0 "[ . 1 . 2]" 13
12 1 76 SER HA 1 78 GLU H 1.800 . 5.000 4.201 4.102 4.328 . 0 0 "[ . 1 . 2]" 13
13 1 77 LEU HA 1 79 ASP H 1.800 . 5.000 4.144 4.039 4.213 . 0 0 "[ . 1 . 2]" 13
14 1 78 GLU HA 1 80 TYR H 1.800 . 5.000 4.496 4.391 4.574 . 0 0 "[ . 1 . 2]" 13
15 1 79 ASP HA 1 81 GLU H 1.800 . 4.000 3.960 3.926 4.012 0.012 9 0 "[ . 1 . 2]" 13
16 1 84 ASP HA 1 86 THR H 1.800 . 4.000 3.637 3.527 3.765 . 0 0 "[ . 1 . 2]" 13
stop_
save_
save_distance_constraint_statistics_14
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 14
_Distance_constraint_stats_list.Constraint_count 12
_Distance_constraint_stats_list.Viol_count 0
_Distance_constraint_stats_list.Viol_total 0.000
_Distance_constraint_stats_list.Viol_max 0.000
_Distance_constraint_stats_list.Viol_rms 0.0000
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0000
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 39 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 81 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 39 LEU HA 1 42 ASP H 1.800 . 5.000 4.489 4.269 4.686 . 0 0 "[ . 1 . 2]" 14
2 1 44 VAL HA 1 47 PHE H 1.800 . 5.000 3.155 2.999 3.258 . 0 0 "[ . 1 . 2]" 14
3 1 45 GLY QA 1 48 LYS H 1.800 . 6.000 3.456 3.381 3.548 . 0 0 "[ . 1 . 2]" 14
4 1 46 ASP HA 1 49 LYS H 1.800 . 4.000 3.264 3.166 3.339 . 0 0 "[ . 1 . 2]" 14
5 1 47 PHE HA 1 50 VAL H 1.800 . 4.000 3.687 3.522 3.764 . 0 0 "[ . 1 . 2]" 14
6 1 50 VAL HA 1 53 LEU H 1.800 . 4.000 3.711 3.461 3.823 . 0 0 "[ . 1 . 2]" 14
7 1 51 LEU HA 1 54 GLN H 1.800 . 4.000 3.461 3.385 3.609 . 0 0 "[ . 1 . 2]" 14
8 1 52 SER HA 1 55 ILE H 1.800 . 5.000 3.594 3.398 3.727 . 0 0 "[ . 1 . 2]" 14
9 1 53 LEU HA 1 56 GLY H 1.800 . 5.000 4.096 3.842 4.921 . 0 0 "[ . 1 . 2]" 14
10 1 59 PRO HA 1 62 ILE H 1.800 . 5.000 3.890 3.460 4.406 . 0 0 "[ . 1 . 2]" 14
11 1 77 LEU HA 1 80 TYR H 1.800 . 5.000 3.363 3.327 3.428 . 0 0 "[ . 1 . 2]" 14
12 1 78 GLU HA 1 81 GLU H 1.800 . 4.000 3.305 3.231 3.371 . 0 0 "[ . 1 . 2]" 14
stop_
save_
save_distance_constraint_statistics_15
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 15
_Distance_constraint_stats_list.Constraint_count 5
_Distance_constraint_stats_list.Viol_count 21
_Distance_constraint_stats_list.Viol_total 18.001
_Distance_constraint_stats_list.Viol_max 0.084
_Distance_constraint_stats_list.Viol_rms 0.0207
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0090
_Distance_constraint_stats_list.Viol_average_violations_only 0.0429
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 22 ILE 0.014 0.010 14 0 "[ . 1 . 2]"
1 23 GLU 0.014 0.010 14 0 "[ . 1 . 2]"
1 30 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 GLU 0.886 0.084 12 0 "[ . 1 . 2]"
1 42 ASP 0.886 0.084 12 0 "[ . 1 . 2]"
1 80 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 81 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 22 ILE H 1 23 GLU HA 1.800 . 5.000 4.935 4.875 5.010 0.010 14 0 "[ . 1 . 2]" 15
2 1 30 LEU H 1 31 GLY QA 1.800 . 6.000 4.583 3.834 5.176 . 0 0 "[ . 1 . 2]" 15
3 1 36 VAL H 1 37 LYS HA 1.800 . 5.000 4.665 4.599 4.794 . 0 0 "[ . 1 . 2]" 15
4 1 41 GLU H 1 42 ASP HA 1.800 . 5.000 5.042 4.951 5.084 0.084 12 0 "[ . 1 . 2]" 15
5 1 80 TYR H 1 81 GLU HA 1.800 . 5.000 4.878 4.834 4.907 . 0 0 "[ . 1 . 2]" 15
stop_
save_
save_distance_constraint_statistics_16
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 16
_Distance_constraint_stats_list.Constraint_count 35
_Distance_constraint_stats_list.Viol_count 23
_Distance_constraint_stats_list.Viol_total 16.049
_Distance_constraint_stats_list.Viol_max 0.071
_Distance_constraint_stats_list.Viol_rms 0.0069
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0011
_Distance_constraint_stats_list.Viol_average_violations_only 0.0349
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 21 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 ILE 0.584 0.064 7 0 "[ . 1 . 2]"
1 23 GLU 0.584 0.064 7 0 "[ . 1 . 2]"
1 24 VAL 0.219 0.071 15 0 "[ . 1 . 2]"
1 25 VAL 0.219 0.071 15 0 "[ . 1 . 2]"
1 27 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 81 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 21 MET QB 1 22 ILE H 1.800 . 6.000 3.343 2.552 3.633 . 0 0 "[ . 1 . 2]" 16
2 1 22 ILE HB 1 23 GLU H 1.800 . 2.500 2.528 2.481 2.564 0.064 7 0 "[ . 1 . 2]" 16
3 1 24 VAL HB 1 25 VAL H 1.800 . 3.500 2.847 2.362 3.571 0.071 15 0 "[ . 1 . 2]" 16
4 1 27 ASN QB 1 28 ASP H 1.800 . 6.000 3.258 2.918 3.579 . 0 0 "[ . 1 . 2]" 16
5 1 28 ASP QB 1 29 ARG H 1.800 . 6.000 2.819 2.081 3.553 . 0 0 "[ . 1 . 2]" 16
6 1 30 LEU QB 1 31 GLY H 1.800 . 6.000 2.816 2.017 3.962 . 0 0 "[ . 1 . 2]" 16
7 1 38 CYS QB 1 39 LEU H 1.800 . 3.500 2.675 1.826 2.913 . 0 0 "[ . 1 . 2]" 16
8 1 42 ASP QB 1 43 SER H 1.800 . 4.500 2.817 2.606 3.572 . 0 0 "[ . 1 . 2]" 16
9 1 43 SER QB 1 44 VAL H 1.800 . 4.500 2.496 2.231 3.181 . 0 0 "[ . 1 . 2]" 16
10 1 44 VAL HB 1 45 GLY H 1.800 . 3.500 2.822 2.720 2.967 . 0 0 "[ . 1 . 2]" 16
11 1 46 ASP QB 1 47 PHE H 1.800 . 4.500 2.623 2.528 2.768 . 0 0 "[ . 1 . 2]" 16
12 1 47 PHE QB 1 48 LYS H 1.800 . 4.500 2.465 2.321 2.698 . 0 0 "[ . 1 . 2]" 16
13 1 48 LYS QB 1 49 LYS H 1.800 . 4.500 2.790 2.638 2.870 . 0 0 "[ . 1 . 2]" 16
14 1 49 LYS QB 1 50 VAL H 1.800 . 4.500 2.611 2.431 3.601 . 0 0 "[ . 1 . 2]" 16
15 1 50 VAL HB 1 51 LEU H 1.800 . 3.500 2.683 2.575 2.827 . 0 0 "[ . 1 . 2]" 16
16 1 51 LEU QB 1 52 SER H 1.800 . 4.500 2.553 2.383 2.725 . 0 0 "[ . 1 . 2]" 16
17 1 52 SER QB 1 53 LEU H 1.800 . 6.000 3.349 2.704 3.694 . 0 0 "[ . 1 . 2]" 16
18 1 55 ILE HB 1 56 GLY H 1.800 . 5.000 3.810 3.563 3.946 . 0 0 "[ . 1 . 2]" 16
19 1 57 THR HB 1 58 GLN H 1.800 . 5.000 3.560 3.234 3.998 . 0 0 "[ . 1 . 2]" 16
20 1 60 ASN QB 1 61 LYS H 1.800 . 5.000 2.937 2.534 3.357 . 0 0 "[ . 1 . 2]" 16
21 1 61 LYS QB 1 62 ILE H 1.800 . 6.000 3.585 3.352 3.741 . 0 0 "[ . 1 . 2]" 16
22 1 63 VAL HB 1 64 LEU H 1.800 . 5.000 4.388 4.293 4.440 . 0 0 "[ . 1 . 2]" 16
23 1 64 LEU QB 1 65 GLN H 1.800 . 4.500 3.005 2.783 3.264 . 0 0 "[ . 1 . 2]" 16
24 1 65 GLN QB 1 66 LYS H 1.800 . 6.000 3.063 2.582 3.368 . 0 0 "[ . 1 . 2]" 16
25 1 69 SER QB 1 70 VAL H 1.800 . 6.000 3.309 2.967 3.801 . 0 0 "[ . 1 . 2]" 16
26 1 70 VAL HB 1 71 LEU H 1.800 . 5.000 3.848 2.758 4.301 . 0 0 "[ . 1 . 2]" 16
27 1 71 LEU QB 1 72 LYS H 1.800 . 5.000 3.194 2.841 3.408 . 0 0 "[ . 1 . 2]" 16
28 1 72 LYS QB 1 73 ASP H 1.800 . 6.000 3.107 2.753 3.461 . 0 0 "[ . 1 . 2]" 16
29 1 73 ASP QB 1 74 HIS H 1.800 . 4.500 3.383 2.845 3.615 . 0 0 "[ . 1 . 2]" 16
30 1 74 HIS QB 1 75 ILE H 1.800 . 6.000 3.129 2.995 3.263 . 0 0 "[ . 1 . 2]" 16
31 1 75 ILE HB 1 76 SER H 1.800 . 5.000 3.993 3.842 4.069 . 0 0 "[ . 1 . 2]" 16
32 1 77 LEU QB 1 78 GLU H 1.800 . 5.000 2.704 2.602 2.775 . 0 0 "[ . 1 . 2]" 16
33 1 78 GLU QB 1 79 ASP H 1.800 . 5.000 2.816 2.669 3.530 . 0 0 "[ . 1 . 2]" 16
34 1 79 ASP QB 1 80 TYR H 1.800 . 6.000 2.513 2.438 2.651 . 0 0 "[ . 1 . 2]" 16
35 1 80 TYR QB 1 81 GLU H 1.800 . 6.000 3.092 3.058 3.121 . 0 0 "[ . 1 . 2]" 16
stop_
save_
save_distance_constraint_statistics_17
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 17
_Distance_constraint_stats_list.Constraint_count 38
_Distance_constraint_stats_list.Viol_count 10
_Distance_constraint_stats_list.Viol_total 4.340
_Distance_constraint_stats_list.Viol_max 0.045
_Distance_constraint_stats_list.Viol_rms 0.0028
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0003
_Distance_constraint_stats_list.Viol_average_violations_only 0.0217
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 22 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 VAL 0.188 0.045 6 0 "[ . 1 . 2]"
1 27 ASN 0.009 0.009 5 0 "[ . 1 . 2]"
1 28 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 LYS 0.078 0.029 9 0 "[ . 1 . 2]"
1 34 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 GLU 0.021 0.012 3 0 "[ . 1 . 2]"
1 43 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 LEU 0.021 0.012 3 0 "[ . 1 . 2]"
1 78 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 88 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 90 LEU 0.118 0.045 6 0 "[ . 1 . 2]"
1 91 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 92 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 93 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 22 ILE HA 1 38 CYS H 1.800 . 5.000 4.883 4.811 4.984 . 0 0 "[ . 1 . 2]" 17
2 1 23 GLU HA 1 38 CYS H 1.800 . 4.000 3.781 3.645 3.891 . 0 0 "[ . 1 . 2]" 17
3 1 23 GLU HA 1 37 LYS H 1.800 . 5.000 4.678 4.502 4.977 . 0 0 "[ . 1 . 2]" 17
4 1 24 VAL HA 1 85 GLN H 1.800 . 5.000 3.390 2.867 3.896 . 0 0 "[ . 1 . 2]" 17
5 1 25 VAL HA 1 36 VAL H 1.800 . 4.000 3.491 3.027 3.858 . 0 0 "[ . 1 . 2]" 17
6 1 26 VAL HA 1 88 LEU H 1.800 . 4.000 2.844 2.437 3.205 . 0 0 "[ . 1 . 2]" 17
7 1 26 VAL HA 1 90 LEU H 1.800 . 5.000 4.859 4.668 5.045 0.045 6 0 "[ . 1 . 2]" 17
8 1 27 ASN HA 1 33 LYS H 1.800 . 5.000 4.768 4.385 4.995 . 0 0 "[ . 1 . 2]" 17
9 1 27 ASN HA 1 34 VAL H 1.800 . 5.000 3.596 3.043 4.091 . 0 0 "[ . 1 . 2]" 17
10 1 28 ASP H 1 33 LYS HA 1.800 . 4.000 3.329 2.628 3.867 . 0 0 "[ . 1 . 2]" 17
11 1 26 VAL H 1 33 LYS HA 1.800 . 5.000 4.689 4.195 5.029 0.029 9 0 "[ . 1 . 2]" 17
12 1 27 ASN H 1 33 LYS HA 1.800 . 5.000 4.805 4.480 5.009 0.009 5 0 "[ . 1 . 2]" 17
13 1 22 ILE H 1 37 LYS HA 1.800 . 5.000 4.491 4.283 4.623 . 0 0 "[ . 1 . 2]" 17
14 1 22 ILE H 1 39 LEU HA 1.800 . 5.000 3.052 2.877 3.240 . 0 0 "[ . 1 . 2]" 17
15 1 23 GLU H 1 37 LYS HA 1.800 . 5.000 4.768 4.654 4.884 . 0 0 "[ . 1 . 2]" 17
16 1 24 VAL H 1 37 LYS HA 1.800 . 4.000 2.999 2.662 3.433 . 0 0 "[ . 1 . 2]" 17
17 1 41 GLU HA 1 77 LEU H 1.800 . 5.000 4.893 4.751 5.012 0.012 3 0 "[ . 1 . 2]" 17
18 1 41 GLU HA 1 78 GLU H 1.800 . 5.000 3.739 3.296 3.947 . 0 0 "[ . 1 . 2]" 17
19 1 43 SER HA 1 77 LEU H 1.800 . 5.000 2.452 2.225 2.960 . 0 0 "[ . 1 . 2]" 17
20 1 61 LYS HA 1 93 LEU H 1.800 . 5.000 3.322 2.985 3.984 . 0 0 "[ . 1 . 2]" 17
21 1 62 ILE HA 1 93 LEU H 1.800 . 5.000 3.837 3.293 4.193 . 0 0 "[ . 1 . 2]" 17
22 1 64 LEU HA 1 89 GLU H 1.800 . 5.000 4.469 4.228 4.765 . 0 0 "[ . 1 . 2]" 17
23 1 64 LEU HA 1 91 TYR H 1.800 . 4.000 3.769 3.551 3.959 . 0 0 "[ . 1 . 2]" 17
24 1 65 GLN HA 1 70 VAL H 1.800 . 5.000 4.779 4.643 4.914 . 0 0 "[ . 1 . 2]" 17
25 1 65 GLN HA 1 71 LEU H 1.800 . 4.000 2.988 2.396 3.553 . 0 0 "[ . 1 . 2]" 17
26 1 65 GLN HA 1 89 GLU H 1.800 . 5.000 4.744 4.441 4.954 . 0 0 "[ . 1 . 2]" 17
27 1 44 VAL H 1 73 ASP HA 1.800 . 5.000 3.132 2.782 3.599 . 0 0 "[ . 1 . 2]" 17
28 1 45 GLY H 1 73 ASP HA 1.800 . 4.000 1.972 1.817 2.213 . 0 0 "[ . 1 . 2]" 17
29 1 44 VAL H 1 76 SER HA 1.800 . 5.000 3.059 2.413 3.535 . 0 0 "[ . 1 . 2]" 17
30 1 77 LEU HA 1 82 VAL H 1.800 . 5.000 4.666 4.472 4.943 . 0 0 "[ . 1 . 2]" 17
31 1 23 GLU H 1 85 GLN HA 1.800 . 5.000 4.849 4.720 4.976 . 0 0 "[ . 1 . 2]" 17
32 1 25 VAL H 1 85 GLN HA 1.800 . 5.000 4.465 3.902 4.987 . 0 0 "[ . 1 . 2]" 17
33 1 25 VAL H 1 87 ASN HA 1.800 . 4.000 3.339 3.128 3.549 . 0 0 "[ . 1 . 2]" 17
34 1 27 ASN H 1 89 GLU HA 1.800 . 4.000 2.766 2.348 3.096 . 0 0 "[ . 1 . 2]" 17
35 1 65 GLN H 1 89 GLU HA 1.800 . 5.000 4.502 4.402 4.740 . 0 0 "[ . 1 . 2]" 17
36 1 63 VAL H 1 90 LEU HA 1.800 . 5.000 4.393 3.986 4.611 . 0 0 "[ . 1 . 2]" 17
37 1 65 GLN H 1 90 LEU HA 1.800 . 5.000 3.949 3.793 4.188 . 0 0 "[ . 1 . 2]" 17
38 1 63 VAL H 1 92 TYR HA 1.800 . 4.000 3.607 3.413 3.777 . 0 0 "[ . 1 . 2]" 17
stop_
save_
save_distance_constraint_statistics_18
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 18
_Distance_constraint_stats_list.Constraint_count 6
_Distance_constraint_stats_list.Viol_count 2
_Distance_constraint_stats_list.Viol_total 2.710
_Distance_constraint_stats_list.Viol_max 0.120
_Distance_constraint_stats_list.Viol_rms 0.0111
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0011
_Distance_constraint_stats_list.Viol_average_violations_only 0.0677
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 46 ASP 0.120 0.120 5 0 "[ . 1 . 2]"
1 47 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 LYS 0.015 0.015 1 0 "[ . 1 . 2]"
1 49 LYS 0.120 0.120 5 0 "[ . 1 . 2]"
1 50 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 LEU 0.015 0.015 1 0 "[ . 1 . 2]"
1 53 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 46 ASP HA 1 49 LYS QG 1.800 . 6.000 2.949 1.680 3.528 0.120 5 0 "[ . 1 . 2]" 18
2 1 46 ASP HA 1 49 LYS QD 1.800 . 6.000 3.061 2.065 4.745 . 0 0 "[ . 1 . 2]" 18
3 1 47 PHE HA 1 50 VAL MG2 1.800 . 6.000 3.305 2.799 3.667 . 0 0 "[ . 1 . 2]" 18
4 1 48 LYS HA 1 51 LEU HG 1.800 . 5.000 4.720 3.975 5.015 0.015 1 0 "[ . 1 . 2]" 18
5 1 48 LYS HA 1 51 LEU MD2 1.800 . 6.000 4.127 3.200 5.005 . 0 0 "[ . 1 . 2]" 18
6 1 50 VAL HA 1 53 LEU HG 1.800 . 5.000 4.181 3.892 4.450 . 0 0 "[ . 1 . 2]" 18
stop_
save_
save_distance_constraint_statistics_19
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 19
_Distance_constraint_stats_list.Constraint_count 6
_Distance_constraint_stats_list.Viol_count 0
_Distance_constraint_stats_list.Viol_total 0.000
_Distance_constraint_stats_list.Viol_max 0.000
_Distance_constraint_stats_list.Viol_rms 0.0000
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0000
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 44 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 44 VAL HA 1 47 PHE QB 1.800 . 6.000 2.271 2.058 2.502 . 0 0 "[ . 1 . 2]" 19
2 1 46 ASP HA 1 49 LYS QB 1.800 . 6.000 2.393 2.089 3.327 . 0 0 "[ . 1 . 2]" 19
3 1 47 PHE HA 1 50 VAL HB 1.800 . 5.000 3.392 3.144 3.572 . 0 0 "[ . 1 . 2]" 19
4 1 48 LYS HA 1 51 LEU QB 1.800 . 6.000 2.429 2.231 2.558 . 0 0 "[ . 1 . 2]" 19
5 1 50 VAL HA 1 53 LEU QB 1.800 . 6.000 3.182 2.838 3.734 . 0 0 "[ . 1 . 2]" 19
6 1 51 LEU HA 1 54 GLN QB 1.800 . 6.000 3.463 2.754 4.424 . 0 0 "[ . 1 . 2]" 19
stop_
save_
save_distance_constraint_statistics_20
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 20
_Distance_constraint_stats_list.Constraint_count 58
_Distance_constraint_stats_list.Viol_count 119
_Distance_constraint_stats_list.Viol_total 43.336
_Distance_constraint_stats_list.Viol_max 0.078
_Distance_constraint_stats_list.Viol_rms 0.0072
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0019
_Distance_constraint_stats_list.Viol_average_violations_only 0.0182
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 22 ILE 0.027 0.016 11 0 "[ . 1 . 2]"
1 24 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 VAL 0.254 0.040 5 0 "[ . 1 . 2]"
1 26 VAL 0.081 0.037 9 0 "[ . 1 . 2]"
1 27 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 VAL 0.081 0.037 9 0 "[ . 1 . 2]"
1 36 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 CYS 0.027 0.016 11 0 "[ . 1 . 2]"
1 39 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 ALA 0.771 0.078 13 0 "[ . 1 . 2]"
1 42 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 SER 0.007 0.005 16 0 "[ . 1 . 2]"
1 44 VAL 0.072 0.020 17 0 "[ . 1 . 2]"
1 45 GLY 0.009 0.009 1 0 "[ . 1 . 2]"
1 46 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 PHE 0.131 0.029 19 0 "[ . 1 . 2]"
1 48 LYS 0.127 0.020 17 0 "[ . 1 . 2]"
1 49 LYS 0.009 0.009 1 0 "[ . 1 . 2]"
1 50 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 LEU 0.147 0.029 19 0 "[ . 1 . 2]"
1 52 SER 0.069 0.015 18 0 "[ . 1 . 2]"
1 54 GLN 0.022 0.018 15 0 "[ . 1 . 2]"
1 55 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 VAL 0.381 0.051 17 0 "[ . 1 . 2]"
1 64 LEU 0.017 0.008 16 0 "[ . 1 . 2]"
1 65 GLN 0.029 0.029 6 0 "[ . 1 . 2]"
1 66 LYS 0.014 0.014 7 0 "[ . 1 . 2]"
1 69 SER 0.014 0.014 7 0 "[ . 1 . 2]"
1 71 LEU 0.017 0.008 16 0 "[ . 1 . 2]"
1 72 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 ILE 0.015 0.008 12 0 "[ . 1 . 2]"
1 76 SER 0.288 0.025 6 0 "[ . 1 . 2]"
1 77 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 GLU 0.771 0.078 13 0 "[ . 1 . 2]"
1 79 ASP 0.288 0.025 6 0 "[ . 1 . 2]"
1 86 THR 0.033 0.018 7 0 "[ . 1 . 2]"
1 88 LEU 0.220 0.040 5 0 "[ . 1 . 2]"
1 89 GLU 0.029 0.029 6 0 "[ . 1 . 2]"
1 91 TYR 0.381 0.051 17 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 22 ILE H 1 38 CYS O 1.800 . 2.300 1.953 1.831 2.066 . 0 0 "[ . 1 . 2]" 20
2 1 22 ILE N 1 38 CYS O 2.800 2.800 3.300 2.919 2.784 3.035 0.016 11 0 "[ . 1 . 2]" 20
3 1 24 VAL H 1 36 VAL O 1.800 . 2.300 2.076 1.910 2.236 . 0 0 "[ . 1 . 2]" 20
4 1 24 VAL N 1 36 VAL O 2.800 2.800 3.300 2.993 2.832 3.181 . 0 0 "[ . 1 . 2]" 20
5 1 25 VAL H 1 86 THR O 1.800 . 2.300 2.196 2.007 2.318 0.018 7 0 "[ . 1 . 2]" 20
6 1 25 VAL N 1 86 THR O 2.800 2.800 3.300 3.156 2.969 3.300 . 0 0 "[ . 1 . 2]" 20
7 1 26 VAL H 1 34 VAL O 1.800 . 2.300 1.938 1.800 2.109 . 0 0 "[ . 1 . 2]" 20
8 1 26 VAL N 1 34 VAL O 2.800 2.800 3.300 2.882 2.777 3.080 0.023 20 0 "[ . 1 . 2]" 20
9 1 27 ASN H 1 88 LEU O 1.800 . 2.300 2.022 1.909 2.209 . 0 0 "[ . 1 . 2]" 20
10 1 27 ASN N 1 88 LEU O 2.800 2.800 3.300 2.961 2.845 3.163 . 0 0 "[ . 1 . 2]" 20
11 1 26 VAL O 1 34 VAL H 1.800 . 2.300 1.979 1.791 2.242 0.009 9 0 "[ . 1 . 2]" 20
12 1 26 VAL O 1 34 VAL N 2.800 2.800 3.300 2.909 2.763 3.184 0.037 9 0 "[ . 1 . 2]" 20
13 1 24 VAL O 1 36 VAL H 1.800 . 2.300 2.107 1.978 2.255 . 0 0 "[ . 1 . 2]" 20
14 1 24 VAL O 1 36 VAL N 2.800 2.800 3.300 3.071 2.948 3.219 . 0 0 "[ . 1 . 2]" 20
15 1 22 ILE O 1 38 CYS H 1.800 . 2.300 2.114 2.048 2.235 . 0 0 "[ . 1 . 2]" 20
16 1 22 ILE O 1 38 CYS N 2.800 2.800 3.300 2.987 2.920 3.042 . 0 0 "[ . 1 . 2]" 20
17 1 39 LEU O 1 42 ASP H 1.800 . 2.300 2.170 2.113 2.255 . 0 0 "[ . 1 . 2]" 20
18 1 39 LEU O 1 42 ASP N 2.800 2.800 3.300 3.001 2.893 3.080 . 0 0 "[ . 1 . 2]" 20
19 1 44 VAL H 1 75 ILE O 1.800 . 2.300 2.227 2.009 2.308 0.008 12 0 "[ . 1 . 2]" 20
20 1 44 VAL N 1 75 ILE O 2.800 2.800 3.300 3.184 2.985 3.277 . 0 0 "[ . 1 . 2]" 20
21 1 43 SER O 1 47 PHE H 1.800 . 2.300 2.147 2.025 2.305 0.005 16 0 "[ . 1 . 2]" 20
22 1 43 SER O 1 47 PHE N 2.800 2.800 3.300 3.071 2.943 3.233 . 0 0 "[ . 1 . 2]" 20
23 1 44 VAL O 1 48 LYS H 1.800 . 2.300 1.927 1.832 2.071 . 0 0 "[ . 1 . 2]" 20
24 1 44 VAL O 1 48 LYS N 2.800 2.800 3.300 2.859 2.780 3.016 0.020 17 0 "[ . 1 . 2]" 20
25 1 45 GLY O 1 49 LYS H 1.800 . 2.300 2.149 1.991 2.309 0.009 1 0 "[ . 1 . 2]" 20
26 1 45 GLY O 1 49 LYS N 2.800 2.800 3.300 3.004 2.866 3.153 . 0 0 "[ . 1 . 2]" 20
27 1 46 ASP O 1 50 VAL H 1.800 . 2.300 2.104 2.011 2.260 . 0 0 "[ . 1 . 2]" 20
28 1 46 ASP O 1 50 VAL N 2.800 2.800 3.300 3.042 2.973 3.108 . 0 0 "[ . 1 . 2]" 20
29 1 47 PHE O 1 51 LEU H 1.800 . 2.300 2.182 2.019 2.329 0.029 19 0 "[ . 1 . 2]" 20
30 1 47 PHE O 1 51 LEU N 2.800 2.800 3.300 3.099 2.946 3.261 . 0 0 "[ . 1 . 2]" 20
31 1 48 LYS O 1 52 SER H 1.800 . 2.300 1.880 1.822 2.059 . 0 0 "[ . 1 . 2]" 20
32 1 48 LYS O 1 52 SER N 2.800 2.800 3.300 2.810 2.785 2.979 0.015 18 0 "[ . 1 . 2]" 20
33 1 51 LEU O 1 54 GLN H 1.800 . 2.300 2.195 2.102 2.318 0.018 15 0 "[ . 1 . 2]" 20
34 1 51 LEU O 1 54 GLN N 2.800 2.800 3.300 2.926 2.844 3.051 . 0 0 "[ . 1 . 2]" 20
35 1 51 LEU O 1 55 ILE H 1.800 . 2.300 2.097 2.011 2.213 . 0 0 "[ . 1 . 2]" 20
36 1 51 LEU O 1 55 ILE N 2.800 2.800 3.300 3.063 2.988 3.188 . 0 0 "[ . 1 . 2]" 20
37 1 63 VAL H 1 91 TYR O 1.800 . 2.300 1.930 1.817 2.034 . 0 0 "[ . 1 . 2]" 20
38 1 63 VAL N 1 91 TYR O 2.800 2.800 3.300 2.798 2.749 2.891 0.051 17 0 "[ . 1 . 2]" 20
39 1 65 GLN H 1 89 GLU O 1.800 . 2.300 2.089 1.958 2.203 . 0 0 "[ . 1 . 2]" 20
40 1 65 GLN N 1 89 GLU O 2.800 2.800 3.300 2.997 2.887 3.127 . 0 0 "[ . 1 . 2]" 20
41 1 66 LYS H 1 69 SER O 1.800 . 2.300 2.106 1.910 2.314 0.014 7 0 "[ . 1 . 2]" 20
42 1 66 LYS N 1 69 SER O 2.800 2.800 3.300 2.977 2.832 3.153 . 0 0 "[ . 1 . 2]" 20
43 1 64 LEU O 1 71 LEU H 1.800 . 2.300 1.926 1.845 2.205 . 0 0 "[ . 1 . 2]" 20
44 1 64 LEU O 1 71 LEU N 2.800 2.800 3.300 2.871 2.792 3.153 0.008 16 0 "[ . 1 . 2]" 20
45 1 72 LYS O 1 75 ILE H 1.800 . 2.300 2.052 1.953 2.267 . 0 0 "[ . 1 . 2]" 20
46 1 72 LYS O 1 75 ILE N 2.800 2.800 3.300 2.984 2.885 3.210 . 0 0 "[ . 1 . 2]" 20
47 1 42 ASP O 1 77 LEU H 1.800 . 2.300 1.975 1.843 2.092 . 0 0 "[ . 1 . 2]" 20
48 1 42 ASP O 1 77 LEU N 2.800 2.800 3.300 2.935 2.807 3.069 . 0 0 "[ . 1 . 2]" 20
49 1 40 ALA O 1 78 GLU H 1.800 . 2.300 2.321 2.219 2.378 0.078 13 0 "[ . 1 . 2]" 20
50 1 40 ALA O 1 78 GLU N 2.800 2.800 3.300 2.820 2.744 2.894 0.056 13 0 "[ . 1 . 2]" 20
51 1 76 SER O 1 79 ASP H 1.800 . 2.300 2.314 2.289 2.325 0.025 6 0 "[ . 1 . 2]" 20
52 1 76 SER O 1 79 ASP N 2.800 2.800 3.300 3.034 2.987 3.073 . 0 0 "[ . 1 . 2]" 20
53 1 25 VAL O 1 88 LEU H 1.800 . 2.300 1.878 1.805 1.981 . 0 0 "[ . 1 . 2]" 20
54 1 25 VAL O 1 88 LEU N 2.800 2.800 3.300 2.801 2.760 2.896 0.040 5 0 "[ . 1 . 2]" 20
55 1 65 GLN O 1 89 GLU H 1.800 . 2.300 1.985 1.844 2.132 . 0 0 "[ . 1 . 2]" 20
56 1 65 GLN O 1 89 GLU N 2.800 2.800 3.300 2.906 2.771 3.040 0.029 6 0 "[ . 1 . 2]" 20
57 1 63 VAL O 1 91 TYR H 1.800 . 2.300 2.081 1.856 2.243 . 0 0 "[ . 1 . 2]" 20
58 1 63 VAL O 1 91 TYR N 2.800 2.800 3.300 2.824 2.768 2.941 0.032 9 0 "[ . 1 . 2]" 20
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